3-[4-[ethanoyl-(2-methylphenyl)amino]-2,6-dimethyl-piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 3-[4-[ethanoyl-(2-methylphenyl)amino]-2,6-dimethyl-piperazin-1-yl]sulfonylbenzamide Openeye Name: 3-[4-(N-acetyl-2-methyl-anilino)-2,6-dimethyl-piperazin-1-yl]sulfonylbenzamide CAS Name: 3-[[4-(N-acetyl-2-methylanilino)-2,6-dimethyl-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-[4-(N-acetyl-2-methylanilino)-2,6-dimethylpiperazin-1-yl]sulfonylbenzamide Traditional Name: 3-[4-(N-acetyl-2-methyl-anilino)-2,6-dimethyl-piperazino]sulfonylbenzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C(=O)N)C)N(C3=CC=CC=C3C)C(=O)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C(=O)N)C)N(C3=CC=CC=C3C)C(=O)C

InChI

InChI=1S/C22H28N4O4S/c1-15-8-5-6-11-21(15)25(18(4)27)24-13-16(2)26(17(3)14-24)31(29,30)20-10-7-9-19(12-20)22(23)28/h5-12,16-17H,13-14H2,1-4H3,(H2,23,28)