1-(4-methylphenyl)sulfonyl-4-(5-nitropyridin-2-yl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(5-nitropyridin-2-yl)-1,4-diazepane Openeye Name: 1-(5-nitro-2-pyridyl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(5-nitropyridin-2-yl)-1,4-diazepane Traditional Name: 1-(5-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=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-14-3-6-16(7-4-14)26(24,25)20-10-2-9-19(11-12-20)17-8-5-15(13-18-17)21(22)23/h3-8,13H,2,9-12H2,1H3