2-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 2-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 2-[4-[2-(3-methoxypropylamino)-2-oxo-ethyl]piperazin-1-yl]-5-(2-thienylsulfonylamino)benzoic acid CAS Name: 2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 2-[4-[2-keto-2-(3-methoxypropylamino)ethyl]piperazino]-5-(2-thienylsulfonylamino)benzoic acid Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6S2/c1-31-12-3-7-22-19(26)15-24-8-10-25(11-9-24)18-6-5-16(14-17(18)21(27)28)23-33(29,30)20-4-2-13-32-20/h2,4-6,13-14,23H,3,7-12,15H2,1H3,(H,22,26)(H,27,28)