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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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