1-(3-cyclohexylpropanoylamino)-N-[(4S,6R)-6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]cyclohexane-1-carboxamide

Systemtic Name: 1-(3-cyclohexylpropanoylamino)-N-[(4S,6R)-6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]cyclohexane-1-carboxamide Openeye Name: 1-(3-cyclohexylpropanoylamino)-N-[(4S,6R)-6-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]cyclohexanecarboxamide CAS Name: 1-[(3-cyclohexyl-1-oxopropyl)amino]-N-[(4S,6R)-6-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]-1-cyclohexanecarboxamide IUPAC Name: 1-(3-cyclohexylpropanoylamino)-N-[(4S,6R)-6-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]cyclohexane-1-carboxamide Traditional Name: 1-(3-cyclohexylpropanoylamino)-N-[(4S,6R)-3-keto-6-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]cyclohexanecarboxamide Formula: C28H42N4O5S MolecularWeight: 546.72188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3(CCCCC3)NC(=O)CCC4CCCCC4

Isomeric SMILES

C[C@@H]1C[C@@H](C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3(CCCCC3)NC(=O)CCC4CCCCC4

InChI

InChI=1S/C28H42N4O5S/c1-21-18-23(24(33)20-32(19-21)38(36,37)26-12-6-9-17-29-26)30-27(35)28(15-7-3-8-16-28)31-25(34)14-13-22-10-4-2-5-11-22/h6,9,12,17,21-23H,2-5,7-8,10-11,13-16,18-20H2,1H3,(H,30,35)(H,31,34)/t21-,23+/m1/s1