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

Systemtic Name: 4-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-[2-keto-2-(propylamino)ethyl]piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O5S2/c1-2-7-21-18(25)14-23-8-10-24(11-9-23)17-6-5-15(20(26)27)13-16(17)22-31(28,29)19-4-3-12-30-19/h3-6,12-13,22H,2,7-11,14H2,1H3,(H,21,25)(H,26,27)