3-[(4-butan-2-ylphenyl)sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(4-butan-2-ylphenyl)sulfonylamino]-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[(4-sec-butylphenyl)sulfonylamino]benzoic acid CAS Name: 3-[(4-butan-2-ylphenyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(4-butan-2-ylphenyl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[(4-sec-butylphenyl)sulfonylamino]benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C18H21NO4S/c1-4-12(2)14-7-9-16(10-8-14)24(22,23)19-17-11-15(18(20)21)6-5-13(17)3/h5-12,19H,4H2,1-3H3,(H,20,21)