N-(3-acetamido-2-methyl-phenyl)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxamide

Systemtic Name: N-(3-acetamido-2-methyl-phenyl)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxamide Openeye Name: N-(3-acetamido-2-methyl-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide CAS Name: N-(3-acetamido-2-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxamide IUPAC Name: N-(3-acetamido-2-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide Traditional Name: N-(3-acetamido-2-methyl-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O4S/c1-14-18(23-15(2)27)9-5-10-19(14)24-22(28)16-7-6-12-26(13-16)21-17-8-3-4-11-20(17)31(29,30)25-21/h3-5,8-11,16H,6-7,12-13H2,1-2H3,(H,23,27)(H,24,28)