N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CCCCCC3)OC

InChI

InChI=1S/C20H25ClN2O4S/c1-26-19-10-8-16(14-20(19)27-2)28(24,25)22-17-13-15(21)7-9-18(17)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3