methyl 4-[4-[(4-methylsulfonyl-2-nitro-phenyl)amino]piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-[(4-methylsulfonyl-2-nitro-phenyl)amino]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(4-methylsulfonyl-2-nitro-anilino)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(4-methylsulfonyl-2-nitroanilino)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylsulfonyl-2-nitroanilino)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-mesyl-2-nitro-anilino)piperidino]piperidine-1-carboxylic acid methyl ester Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2CCC(CC2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCC(CC1)N2CCC(CC2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O6S/c1-29-19(24)22-11-7-15(8-12-22)21-9-5-14(6-10-21)20-17-4-3-16(30(2,27)28)13-18(17)23(25)26/h3-4,13-15,20H,5-12H2,1-2H3