N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-1-tosyl-isonipecotamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H26ClN3O4S/c1-15-6-8-18(9-7-15)31(29,30)26-12-10-17(11-13-26)22(28)24-14-21(27)25-20-5-3-4-19(23)16(20)2/h3-9,17H,10-14H2,1-2H3,(H,24,28)(H,25,27)