2-[(4-tert-butylphenyl)carbonylamino]-5-methyl-benzenesulfonic acid

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylamino]-5-methyl-benzenesulfonic acid Openeye Name: 2-[(4-tert-butylbenzoyl)amino]-5-methyl-benzenesulfonic acid CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-methylbenzenesulfonic acid IUPAC Name: 2-[(4-tert-butylbenzoyl)amino]-5-methylbenzenesulfonic acid Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-5-methyl-besylic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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