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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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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(C=CC=C4S3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=CC=C4S3)OC

InChI

InChI=1S/C21H23N3O4S2/c1-14-6-8-16(9-7-14)30(26,27)24-12-10-15(11-13-24)20(25)23-21-22-19-17(28-2)4-3-5-18(19)29-21/h3-9,15H,10-13H2,1-2H3,(H,22,23,25)