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

Systemtic Name: 2-[4-(4-ethyl-5-propyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-ethyl-5-propyl-thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-ethyl-5-propyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-ethyl-5-propyl-thiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC

InChI

InChI=1S/C21H25N3O3S2/c1-3-7-18-16(4-2)14-19(28-18)21(25)23-10-12-24(13-11-23)29(26,27)20-9-6-5-8-17(20)15-22/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3