2-[(4-tert-butylphenyl)sulfonyl-propyl-amino]benzoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonyl-propyl-amino]benzoic acid Openeye Name: 2-[(4-tert-butylphenyl)sulfonyl-propyl-amino]benzoic acid CAS Name: 2-[(4-tert-butylphenyl)sulfonyl-propylamino]benzoic acid IUPAC Name: 2-[(4-tert-butylphenyl)sulfonyl-propylamino]benzoic acid Traditional Name: 2-[(4-tert-butylphenyl)sulfonyl-propyl-amino]benzoic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H25NO4S/c1-5-14-21(18-9-7-6-8-17(18)19(22)23)26(24,25)16-12-10-15(11-13-16)20(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23)