3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(4-chloro-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]-4-methyl-benzoic acid Formula: C18H19ClN2O6S2 MolecularWeight: 458.93626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19ClN2O6S2/c1-12-4-5-13(18(22)23)10-16(12)28(24,25)20-14-6-7-15(19)17(11-14)29(26,27)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,22,23)