N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azocan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azocan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azocan-4-yl]carbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azocanyl]amino]pentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazocan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azocan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C27H32N4O5S2 MolecularWeight: 556.69678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C27H32N4O5S2/c1-18(2)15-21(30-27(34)24-16-19-9-3-4-11-23(19)37-24)26(33)29-20-10-6-8-14-31(17-22(20)32)38(35,36)25-12-5-7-13-28-25/h3-5,7,9,11-13,16,18,20-21H,6,8,10,14-15,17H2,1-2H3,(H,29,33)(H,30,34)/t20?,21-/m0/s1