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

Systemtic Name: ethyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(3,5-dimethylpiperidino)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O7S/c1-4-33-23(28)18-10-17(11-20(12-18)26(29)30)22(27)24-19-5-7-21(8-6-19)34(31,32)25-13-15(2)9-16(3)14-25/h5-8,10-12,15-16H,4,9,13-14H2,1-3H3,(H,24,27)