1-(2-methyl-3-nitro-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-methylbenzyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-16-7-3-4-8-18(16)15-21-11-6-12-22(14-13-21)28(26,27)20-10-5-9-19(17(20)2)23(24)25/h3-5,7-10H,6,11-15H2,1-2H3