N-[(2S)-1-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-[3-(azepan-1-ylsulfonyl)anilino]-1-benzyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-(1-azepanylsulfonyl)anilino]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[3-(azepan-1-ylsulfonyl)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-[3-(azepan-1-ylsulfonyl)anilino]-1-benzyl-2-keto-ethyl]thiophene-2-carboxamide Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N3O4S2/c30-25(23(18-20-10-4-3-5-11-20)28-26(31)24-14-9-17-34-24)27-21-12-8-13-22(19-21)35(32,33)29-15-6-1-2-7-16-29/h3-5,8-14,17,19,23H,1-2,6-7,15-16,18H2,(H,27,30)(H,28,31)/t23-/m0/s1