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

Systemtic Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]pyridine-3-sulfonamide Openeye Name: N-[(1S)-1-[(4-aminophenyl)methyl]-2-[4-(2-hydroxyethyl)-1-piperidyl]-2-oxo-ethyl]-4-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]pyridine-3-sulfonamide CAS Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-hydroxyethyl)-1-piperidinyl]-1-oxopropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-pyridinesulfonamide IUPAC Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide Traditional Name: N-[(1S)-1-(4-aminobenzyl)-2-[4-(2-hydroxyethyl)piperidino]-2-keto-ethyl]-4-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]pyridine-3-sulfonamide Formula: C30H39N5O5S MolecularWeight: 581.72616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCO)C(=O)C(CC2=CC=C(C=C2)N)NS(=O)(=O)C3=C(C=CN=C3)NC(CC4=CC=CC=C4)CO

Isomeric SMILES

C1CN(CCC1CCO)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)CO

InChI

InChI=1S/C30H39N5O5S/c31-25-8-6-24(7-9-25)19-28(30(38)35-15-11-22(12-16-35)13-17-36)34-41(39,40)29-20-32-14-10-27(29)33-26(21-37)18-23-4-2-1-3-5-23/h1-10,14,20,22,26,28,34,36-37H,11-13,15-19,21,31H2,(H,32,33)/t26-,28-/m0/s1