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

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

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

Isomeric SMILES

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

InChI

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