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

Systemtic Name: [2-(methylamino)-5-nitro-phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [2-(methylamino)-5-nitro-phenyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-(methylamino)-5-nitrophenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [2-(methylamino)-5-nitrophenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [2-(methylamino)-5-nitro-phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-15-4-7-17(8-5-15)30(28,29)23-11-3-10-22(12-13-23)20(25)18-14-16(24(26)27)6-9-19(18)21-2/h4-9,14,21H,3,10-13H2,1-2H3