N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-nitro-pyridin-2-amine

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-nitro-pyridin-2-amine Openeye Name: 3-nitro-N-[1-(p-tolylsulfonyl)-4-piperidyl]pyridin-2-amine CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-3-nitro-2-pyridinamine IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-nitropyridin-2-amine Traditional Name: (3-nitro-2-pyridyl)-(1-tosyl-4-piperidyl)amine Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=C(C=CC=N3)[N+](=O)[O-]

InChI

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