4-methyl-3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]benzoic acid

Systemtic Name: 4-methyl-3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]benzoic acid Openeye Name: 4-methyl-3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]benzoic acid CAS Name: 4-methyl-3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]benzoic acid IUPAC Name: 4-methyl-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]benzoic acid Traditional Name: 4-methyl-3-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]benzoic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C(C=CC(=C3)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C(C=CC(=C3)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-13-4-3-9-22(12-13)30(28,29)16-7-8-17(19(11-16)23(26)27)21-18-10-15(20(24)25)6-5-14(18)2/h5-8,10-11,13,21H,3-4,9,12H2,1-2H3,(H,24,25)/t13-/m0/s1