4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O5S2/c26-19(25-7-1-2-8-25)15-23-9-11-24(12-10-23)18-6-5-16(21(27)28)14-17(18)22-32(29,30)20-4-3-13-31-20/h3-6,13-14,22H,1-2,7-12,15H2,(H,27,28)