2-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H26N4O3S/c1-19-16-23(20(2)29(19)18-21-8-4-3-5-9-21)25(30)27-12-14-28(15-13-27)33(31,32)24-11-7-6-10-22(24)17-26/h3-11,16H,12-15,18H2,1-2H3