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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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