N-[(2S)-1-[[1-(4-chlorophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[1-(4-chlorophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[[1-(4-chlorophenyl)sulfonylazepan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[[1-(4-chlorophenyl)sulfonyl-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[[1-(4-chlorophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[1-(4-chlorophenyl)sulfonylazepan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C27H32ClN3O4S2 MolecularWeight: 562.14368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C27H32ClN3O4S2/c1-18(2)16-23(30-27(33)25-17-19-6-3-4-8-24(19)36-25)26(32)29-21-7-5-14-31(15-13-21)37(34,35)22-11-9-20(28)10-12-22/h3-4,6,8-12,17-18,21,23H,5,7,13-16H2,1-2H3,(H,29,32)(H,30,33)/t21?,23-/m0/s1