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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-tosyl-nipecotamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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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=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-13-7-9-15(10-8-13)29(26,27)24-11-3-4-14(12-24)19(25)23-20-22-18-16(21)5-2-6-17(18)28-20/h2,5-10,14H,3-4,11-12H2,1H3,(H,22,23,25)