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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-chloranyl-4-methoxy-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-benzyl-3-chloro-4-methoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3-chloro-4-methoxy-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzyl-3-chloro-4-methoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-benzyl-3-chloro-4-methoxy-benzenesulfonamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-29-21-12-11-19(15-20(21)23)30(27,28)25(16-18-9-5-4-6-10-18)17-22(26)24-13-7-2-3-8-14-24/h4-6,9-12,15H,2-3,7-8,13-14,16-17H2,1H3