3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[[4-(4-methylpiperidino)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H21N3O7S/c1-13-6-8-22(9-7-13)31(29,30)18-4-2-16(3-5-18)21-19(24)14-10-15(20(25)26)12-17(11-14)23(27)28/h2-5,10-13H,6-9H2,1H3,(H,21,24)(H,25,26)