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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)-3-[(4-isopropylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-ethylpiperazino)-3-(p-cumenylsulfonylamino)benzoic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H29N3O4S/c1-4-24-11-13-25(14-12-24)21-10-7-18(22(26)27)15-20(21)23-30(28,29)19-8-5-17(6-9-19)16(2)3/h5-10,15-16,23H,4,11-14H2,1-3H3,(H,26,27)