N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-3-cyclopentyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-3-cyclopentyl-1-oxidanylidene-propan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-2-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-1-(cyclopentylmethyl)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonyl-4-azepanyl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-2-[[(4R)-1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-1-(cyclopentylmethyl)-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C30H34N4O4S2 MolecularWeight: 578.74536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(C(=O)NC2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(C1)C[C@@H](C(=O)N[C@@H]2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C30H34N4O4S2/c31-20-23-11-4-6-14-28(23)40(37,38)34-16-7-12-24(15-17-34)32-29(35)25(18-21-8-1-2-9-21)33-30(36)27-19-22-10-3-5-13-26(22)39-27/h3-6,10-11,13-14,19,21,24-25H,1-2,7-9,12,15-18H2,(H,32,35)(H,33,36)/t24-,25+/m1/s1