2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)C(=O)O

InChI

InChI=1S/C27H31N3O4S/c1-4-21-7-10-23(11-8-21)35(33,34)28-22-9-12-25(24(18-22)27(31)32)29-13-15-30(16-14-29)26-17-19(2)5-6-20(26)3/h5-12,17-18,28H,4,13-16H2,1-3H3,(H,31,32)