4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-20-10-5-11-21(13-12-20)17-9-8-16(14-18(17)22(23)24)27(25,26)19-15-6-3-2-4-7-15/h2-4,6-9,14,19H,5,10-13H2,1H3