2-[4-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C22H22N4O3S2/c1-16-7-8-17(2)26(16)22-19(9-14-30-22)21(27)24-10-12-25(13-11-24)31(28,29)20-6-4-3-5-18(20)15-23/h3-9,14H,10-13H2,1-2H3