4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-N-benzyl-3-chloro-benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-chloro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzyl-3-chlorobenzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-N-benzyl-3-chloro-benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c22-19-14-18(29(26,27)23-15-17-8-4-3-5-9-17)10-11-20(19)28-16-21(25)24-12-6-1-2-7-13-24/h3-5,8-11,14,23H,1-2,6-7,12-13,15-16H2