N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-chloranyl-N-cyclohexyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-chloranyl-N-cyclohexyl-4-methoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3-chloro-N-cyclohexyl-4-methoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3-chloro-N-cyclohexyl-4-methoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3-chloro-N-cyclohexyl-4-methoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3-chloro-N-cyclohexyl-4-methoxy-benzenesulfonamide Formula: C21H31ClN2O4S MolecularWeight: 442.99984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3CCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3CCCCC3)Cl

InChI

InChI=1S/C21H31ClN2O4S/c1-28-20-12-11-18(15-19(20)22)29(26,27)24(17-9-5-4-6-10-17)16-21(25)23-13-7-2-3-8-14-23/h11-12,15,17H,2-10,13-14,16H2,1H3