3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-ethyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-4-(4-ethylpiperazino)benzoic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-23-9-11-24(12-10-23)20-8-6-17(21(25)26)14-19(20)22-29(27,28)18-7-5-15(2)16(3)13-18/h5-8,13-14,22H,4,9-12H2,1-3H3,(H,25,26)