N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-17-9-11-20(12-10-17)30(28,29)23(18-7-6-8-19(15-18)24(26)27)16-21(25)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14,16H2,1H3