N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC(=C4C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC(=C4C)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c1-13-3-5-16(6-4-13)30(27,28)25-11-9-15(10-12-25)20(26)24-21-23-19-14(2)17(22)7-8-18(19)29-21/h3-8,15H,9-12H2,1-2H3,(H,23,24,26)