1-(4-methylphenyl)sulfonyl-4-(3-nitropyridin-2-yl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(3-nitropyridin-2-yl)-1,4-diazepane Openeye Name: 1-(3-nitro-2-pyridyl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-nitro-2-pyridinyl)-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(3-nitropyridin-2-yl)-1,4-diazepane Traditional Name: 1-(3-nitro-2-pyridyl)-4-tosyl-1,4-diazepane Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-14-5-7-15(8-6-14)26(24,25)20-11-3-10-19(12-13-20)17-16(21(22)23)4-2-9-18-17/h2,4-9H,3,10-13H2,1H3