2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-(4-phenylpiperazin-1-yl)-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-(4-phenyl-1-piperazinyl)-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-(4-phenylpiperazino)-5-(2-thienylsulfonylamino)benzoic acid Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C21H21N3O4S2/c25-21(26)18-15-16(22-30(27,28)20-7-4-14-29-20)8-9-19(18)24-12-10-23(11-13-24)17-5-2-1-3-6-17/h1-9,14-15,22H,10-13H2,(H,25,26)