N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]propionamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C22H25ClN4O3S/c1-15-4-7-21(16(2)12-15)31(29,30)27-10-8-26(9-11-27)17(3)22(28)25-19-6-5-18(14-24)20(23)13-19/h4-7,12-13,17H,8-11H2,1-3H3,(H,25,28)