[4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15-5-3-6-17(13-15)20(24)21-9-4-10-22(12-11-21)29(27,28)19-14-18(23(25)26)8-7-16(19)2/h3,5-8,13-14H,4,9-12H2,1-2H3