2-[4-(3-ethoxy-5-phenyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-ethoxy-5-phenyl-thiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-ethoxy-5-phenyl-thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-ethoxy-5-phenyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-ethoxy-5-phenyl-thiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC(=C1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=C(SC(=C1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H23N3O4S2/c1-2-31-20-16-21(18-8-4-3-5-9-18)32-23(20)24(28)26-12-14-27(15-13-26)33(29,30)22-11-7-6-10-19(22)17-25/h3-11,16H,2,12-15H2,1H3