1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H23N3O6S3 MolecularWeight: 509.61882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O6S3/c1-30-15-3-5-16(6-4-15)33(28,29)24-11-9-14(10-12-24)20(25)23-21-22-18-8-7-17(32(2,26)27)13-19(18)31-21/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)