4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]benzenesulfonamide CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-15-3-5-16(6-4-15)14-21-9-2-10-22(12-11-21)18-8-7-17(28(20,26)27)13-19(18)23(24)25/h3-8,13H,2,9-12,14H2,1H3,(H2,20,26,27)