N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]propionamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H26N4O3S/c1-17-7-8-21(18(2)15-17)30(28,29)26-13-11-25(12-14-26)10-9-22(27)24-20-6-4-3-5-19(20)16-23/h3-8,15H,9-14H2,1-2H3,(H,24,27)