N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-cyano-N-phenyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-cyano-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-2-cyano-N-phenyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-2-cyano-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-2-cyano-N-phenylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-2-cyano-N-phenyl-benzenesulfonamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O3S/c22-16-18-10-6-7-13-20(18)28(26,27)24(19-11-4-3-5-12-19)17-21(25)23-14-8-1-2-9-15-23/h3-7,10-13H,1-2,8-9,14-15,17H2