(3-methylphenyl)-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methylphenyl)-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: m-tolyl-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: (3-methylphenyl)-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methylphenyl)-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: m-tolyl-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-15-6-4-7-16(14-15)19(23)20-10-5-11-21(13-12-20)28(26,27)18-9-3-2-8-17(18)22(24)25/h2-4,6-9,14H,5,10-13H2,1H3