4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21ClN2O5S/c1-13-11-15(20(25)26)6-8-17(13)22-19(24)14-5-7-16(21)18(12-14)29(27,28)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)(H,25,26)