methyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(3,5-dimethylpiperidino)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C22H25N3O7S/c1-14-8-15(2)13-24(12-14)33(30,31)20-6-4-18(5-7-20)23-21(26)16-9-17(22(27)32-3)11-19(10-16)25(28)29/h4-7,9-11,14-15H,8,12-13H2,1-3H3,(H,23,26)