methyl 2-[4-[(2-methyl-5-nitro-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-methyl-5-nitro-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-methyl-5-nitro-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(2-methyl-5-nitroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-methyl-5-nitrophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-methyl-5-nitro-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23N3O7S/c1-14-7-8-16(24(27)28)13-18(14)22-20(25)15-9-11-23(12-10-15)32(29,30)19-6-4-3-5-17(19)21(26)31-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)