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

Systemtic Name: 2-[4-(5-methyl-4-propyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-methyl-4-propyl-thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-methyl-4-propyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-methyl-4-propyl-thiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H23N3O3S2/c1-3-6-16-13-18(27-15(16)2)20(24)22-9-11-23(12-10-22)28(25,26)19-8-5-4-7-17(19)14-21/h4-5,7-8,13H,3,6,9-12H2,1-2H3