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

Systemtic Name: 4-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C24H24N4O3S/c1-18-3-4-19(2)28(18)22-9-7-21(8-10-22)24(29)26-13-15-27(16-14-26)32(30,31)23-11-5-20(17-25)6-12-23/h3-12H,13-16H2,1-2H3