N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoranylethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-[[(2S)-1-(methylamino)-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-(methylamino)-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-(methylamino)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-(methylamino)-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-(methylamino)-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-(methylamino)ethyl]amino]pyridine-3-sulfonamide Formula: C31H41FN6O3S MolecularWeight: 596.759043

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(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

CNC[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/C31H41FN6O3S/c1-34-21-27(19-24-5-3-2-4-6-24)36-28-12-16-35-22-30(28)42(40,41)37-29(20-25-7-9-26(33)10-8-25)31(39)38-17-13-23(11-15-32)14-18-38/h2-10,12,16,22-23,27,29,34,37H,11,13-15,17-21,33H2,1H3,(H,35,36)/t27-,29-/m0/s1