N-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazino]acetamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-15-12-25(14-21(27)24-20-9-4-3-8-19(20)22)13-16(2)26(15)30(28,29)18-7-5-6-17(10-18)11-23/h3-10,15-16H,12-14H2,1-2H3,(H,24,27)