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

Systemtic Name: 4-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-[2-(butylamino)-2-keto-ethyl]piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S2/c1-2-3-8-22-19(26)15-24-9-11-25(12-10-24)18-7-6-16(21(27)28)14-17(18)23-32(29,30)20-5-4-13-31-20/h4-7,13-14,23H,2-3,8-12,15H2,1H3,(H,22,26)(H,27,28)