3-[(2,4-dimethylphenyl)sulfonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dimethylphenyl)sulfonyl-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2,4-dimethylphenyl)sulfonyl-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dimethylphenyl)sulfonyl-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dimethylphenyl)sulfonyl-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C)C

InChI

InChI=1S/C22H23NO4S2/c1-14(2)23(29(26,27)20-11-10-15(3)12-16(20)4)18-13-19(28-21(18)22(24)25)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,24,25)