N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-3-methyl-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-16-5-4-6-19(13-16)22(27)23-15-21(26)24-9-11-25(12-10-24)30(28,29)20-8-7-17(2)18(3)14-20/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,27)