N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoranylethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-[[(2S)-1-(3-oxidanylidenepiperazin-1-yl)-3-phenyl-propan-2-yl]amino]pyridine-3-sulfonamide

Systemtic Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoranylethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-[[(2S)-1-(3-oxidanylidenepiperazin-1-yl)-3-phenyl-propan-2-yl]amino]pyridine-3-sulfonamide Openeye Name: N-[(1S)-1-[(4-aminophenyl)methyl]-2-[4-(2-fluoroethyl)-1-piperidyl]-2-oxo-ethyl]-4-[[(1S)-1-benzyl-2-(3-oxopiperazin-1-yl)ethyl]amino]pyridine-3-sulfonamide CAS Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)-1-piperidinyl]-1-oxopropan-2-yl]-4-[[(2S)-1-(3-oxo-1-piperazinyl)-3-phenylpropan-2-yl]amino]-3-pyridinesulfonamide IUPAC Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-(3-oxopiperazin-1-yl)-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide Traditional Name: N-[(1S)-1-(4-aminobenzyl)-2-[4-(2-fluoroethyl)piperidino]-2-keto-ethyl]-4-[[(1S)-1-benzyl-2-(3-ketopiperazino)ethyl]amino]pyridine-3-sulfonamide Formula: C34H44FN7O4S MolecularWeight: 665.821063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCF)C(=O)C(CC2=CC=C(C=C2)N)NS(=O)(=O)C3=C(C=CN=C3)NC(CC4=CC=CC=C4)CN5CCNC(=O)C5

Isomeric SMILES

C1CN(CCC1CCF)C(=O)[C@H](CC2=CC=C(C=C2)N)NS(=O)(=O)C3=C(C=CN=C3)N[C@@H](CC4=CC=CC=C4)CN5CCNC(=O)C5

InChI

InChI=1S/C34H44FN7O4S/c35-14-10-25-12-17-42(18-13-25)34(44)31(21-27-6-8-28(36)9-7-27)40-47(45,46)32-22-37-15-11-30(32)39-29(20-26-4-2-1-3-5-26)23-41-19-16-38-33(43)24-41/h1-9,11,15,22,25,29,31,40H,10,12-14,16-21,23-24,36H2,(H,37,39)(H,38,43)/t29-,31-/m0/s1