5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[(cyclohexylamino)-oxomethyl]phenyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methoxy-benzamide Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4

InChI

InChI=1S/C27H35N3O5S/c1-35-25-16-15-21(36(33,34)30-17-9-2-3-10-18-30)19-23(25)27(32)29-24-14-8-7-13-22(24)26(31)28-20-11-5-4-6-12-20/h7-8,13-16,19-20H,2-6,9-12,17-18H2,1H3,(H,28,31)(H,29,32)