4-[[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotoyl]amino]-3-methyl-benzoic acid Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O7S/c1-12-10-14(20(26)27)2-5-17(12)22-19(25)13-6-8-23(9-7-13)32(30,31)18-11-15(24(28)29)3-4-16(18)21/h2-5,10-11,13H,6-9H2,1H3,(H,22,25)(H,26,27)