2-[4-[(4-methylsulfonyl-2-nitro-phenyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

Systemtic Name: 2-[4-[(4-methylsulfonyl-2-nitro-phenyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-anilino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol CAS Name: 2-[4-(4-methylsulfonyl-2-nitroanilino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitroanilino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol Traditional Name: 2-[4-(4-mesyl-2-nitro-anilino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2CCCC3=C2C=NN3CCO)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2CCCC3=C2C=NN3CCO)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c1-26(24,25)11-5-6-14(16(9-11)20(22)23)18-13-3-2-4-15-12(13)10-17-19(15)7-8-21/h5-6,9-10,13,18,21H,2-4,7-8H2,1H3