2-[4-(4-ethyl-5-methyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-ethyl-5-methyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-ethyl-5-methyl-thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-ethyl-5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-ethyl-5-methyl-thiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C19H21N3O3S2/c1-3-15-12-17(26-14(15)2)19(23)21-8-10-22(11-9-21)27(24,25)18-7-5-4-6-16(18)13-20/h4-7,12H,3,8-11H2,1-2H3