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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N-(phenylmethyl)benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-N-benzyl-benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzylbenzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-N-benzyl-benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c24-21(23-14-6-1-2-7-15-23)17-27-19-10-12-20(13-11-19)28(25,26)22-16-18-8-4-3-5-9-18/h3-5,8-13,22H,1-2,6-7,14-17H2