4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H23N5O3S2 MolecularWeight: 433.54762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C19H23N5O3S2/c1-13(19-21-15-5-3-4-6-17(15)28-19)23-7-9-24(10-8-23)29(26,27)14-11-16(18(20)25)22(2)12-14/h3-6,11-13H,7-10H2,1-2H3,(H2,20,25)