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

Systemtic Name: 4-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-[2-keto-2-(2-methoxyethylamino)ethyl]piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C20H26N4O6S2 MolecularWeight: 482.57364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6S2/c1-30-11-6-21-18(25)14-23-7-9-24(10-8-23)17-5-4-15(20(26)27)13-16(17)22-32(28,29)19-3-2-12-31-19/h2-5,12-13,22H,6-11,14H2,1H3,(H,21,25)(H,26,27)