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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[(cyclohexylamino)-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(cyclohexylcarbamoyl)phenyl]-2-methyl-benzamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-20-15-16-22(35(33,34)30-17-9-2-3-10-18-30)19-24(20)27(32)29-25-14-8-7-13-23(25)26(31)28-21-11-5-4-6-12-21/h7-8,13-16,19,21H,2-6,9-12,17-18H2,1H3,(H,28,31)(H,29,32)