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

Systemtic Name: 3-(phenylsulfonylamino)-4-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 3-(benzenesulfonamido)-4-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-(4-propylpiperazino)benzoic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-2-10-22-11-13-23(14-12-22)19-9-8-16(20(24)25)15-18(19)21-28(26,27)17-6-4-3-5-7-17/h3-9,15,21H,2,10-14H2,1H3,(H,24,25)