4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-12-10-13(19(24)25)4-7-17(12)21-18(23)15-11-14(5-6-16(15)20)28(26,27)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)(H,24,25)