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

Systemtic Name: N-[(2S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[[1-(2-cyanophenyl)sulfonyl-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[1-(2-cyanophenyl)sulfonylazepan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C28H32N4O4S2 MolecularWeight: 552.70808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C28H32N4O4S2/c1-19(2)16-23(31-28(34)25-17-20-8-3-5-11-24(20)37-25)27(33)30-22-10-7-14-32(15-13-22)38(35,36)26-12-6-4-9-21(26)18-29/h3-6,8-9,11-12,17,19,22-23H,7,10,13-16H2,1-2H3,(H,30,33)(H,31,34)/t22?,23-/m0/s1