4-[4-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[2-[[2-(dimethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N(C)C

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N(C)C

InChI

InChI=1S/C21H27N5O5S2/c1-23(2)19(27)14-32-18-7-5-4-6-16(18)21(29)25-8-10-26(11-9-25)33(30,31)15-12-17(20(22)28)24(3)13-15/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,28)