4-methyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 4-methyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 4-methyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid CAS Name: 4-methyl-3-[2-(1-pyrrolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-methyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 4-methyl-3-(2-pyrrolidinoethylsulfonyl)benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2CCCC2

InChI

InChI=1S/C14H19NO4S/c1-11-4-5-12(14(16)17)10-13(11)20(18,19)9-8-15-6-2-3-7-15/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)