[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: (5-nitro-2-furyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: (5-nitro-2-furyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S/c1-13-3-5-14(6-4-13)27(24,25)19-10-2-9-18(11-12-19)17(21)15-7-8-16(26-15)20(22)23/h3-8H,2,9-12H2,1H3