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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C21H22ClN3O4S2/c1-13-17(22)7-8-18-19(13)23-21(30-18)24-20(26)14-9-11-25(12-10-14)31(27,28)16-5-3-15(29-2)4-6-16/h3-8,14H,9-12H2,1-2H3,(H,23,24,26)