N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C)C

InChI

InChI=1S/C21H25N3O4S/c1-15-7-8-20(16(2)13-15)29(27,28)24-11-9-23(10-12-24)21(26)18-5-4-6-19(14-18)22-17(3)25/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)