4-(azepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(1-azepanyl)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c22-21(23)18-14-16(26(24,25)19-15-8-4-3-5-9-15)10-11-17(18)20-12-6-1-2-7-13-20/h3-5,8-11,14,19H,1-2,6-7,12-13H2