4-(4-ethoxycarbonylpiperazin-1-yl)-3-(phenylsulfonylamino)benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 3-(benzenesulfonamido)-4-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-(4-carbethoxypiperazino)benzoic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-2-29-20(26)23-12-10-22(11-13-23)18-9-8-15(19(24)25)14-17(18)21-30(27,28)16-6-4-3-5-7-16/h3-9,14,21H,2,10-13H2,1H3,(H,24,25)