4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-isopropylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-(p-cumenylsulfonylamino)benzoic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H29N3O6S/c1-4-32-23(29)26-13-11-25(12-14-26)21-10-7-18(22(27)28)15-20(21)24-33(30,31)19-8-5-17(6-9-19)16(2)3/h5-10,15-16,24H,4,11-14H2,1-3H3,(H,27,28)