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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-piperidine-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-piperidine-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-4-piperidinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpiperidine-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1-phenyl-isonipecotamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-28(25,26)16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-9-11-23(12-10-14)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,22,24)