N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-methyl-N-phenyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)-3-oxo-propyl]-4-methyl-N-phenyl-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)-3-keto-propyl]-4-methyl-N-phenyl-benzenesulfonamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-19-11-13-21(14-12-19)28(26,27)24(20-9-5-4-6-10-20)18-15-22(25)23-16-7-2-3-8-17-23/h4-6,9-14H,2-3,7-8,15-18H2,1H3