N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-(4-formylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-(4-formyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-(4-formylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-(4-formylpiperazino)-2-keto-acetamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-16-5-6-19(12-17(16)2)32(30,31)20(18-4-3-7-23-13-18)14-24-21(28)22(29)26-10-8-25(15-27)9-11-26/h3-7,12-13,15,20H,8-11,14H2,1-2H3,(H,24,28)