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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c1-14-3-6-16(7-4-14)29(27,28)22-10-2-9-21(11-12-22)19(24)17-8-5-15(23(25)26)13-18(17)20/h3-8,13H,2,9-12H2,1H3