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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(phenylcarbonyl)piperidine-4-carboxamide Openeye Name: 1-benzoyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-benzoyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-benzoyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-benzoyl-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c1-30(27,28)16-7-8-17-18(13-16)29-21(22-17)23-19(25)14-9-11-24(12-10-14)20(26)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,23,25)