N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-tosyl-nipecotamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4C)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c1-13-5-7-17(8-6-13)30(27,28)25-9-3-4-15(12-25)20(26)24-21-23-19-14(2)10-16(22)11-18(19)29-21/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,23,24,26)