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

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

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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)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

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