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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-bromanyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-benzyl-4-bromo-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-bromo-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzyl-4-bromobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-benzyl-4-bromo-benzenesulfonamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O3S/c22-19-10-12-20(13-11-19)28(26,27)24(16-18-8-4-3-5-9-18)17-21(25)23-14-6-1-2-7-15-23/h3-5,8-13H,1-2,6-7,14-17H2