N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoranylethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-[[(2S)-1-phenyl-3-(propylamino)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-phenyl-3-(propylamino)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-(propylamino)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-phenyl-3-(propylamino)propan-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-phenyl-3-(propylamino)propan-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-(propylamino)ethyl]amino]pyridine-3-sulfonamide Formula: C33H45FN6O3S MolecularWeight: 624.812203

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(CC1=CC=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(CC3=CC=C(C=C3)N)C(=O)N4CCC(CC4)CCF

Isomeric SMILES

CCCNC[C@H](CC1=CC=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N[C@@H](CC3=CC=C(C=C3)N)C(=O)N4CCC(CC4)CCF

InChI

InChI=1S/C33H45FN6O3S/c1-2-17-36-23-29(21-26-6-4-3-5-7-26)38-30-13-18-37-24-32(30)44(42,43)39-31(22-27-8-10-28(35)11-9-27)33(41)40-19-14-25(12-16-34)15-20-40/h3-11,13,18,24-25,29,31,36,39H,2,12,14-17,19-23,35H2,1H3,(H,37,38)/t29-,31-/m0/s1