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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H19N3O5S4 MolecularWeight: 485.62056

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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)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O5S4/c1-29(23,24)13-4-5-14-15(11-13)28-18(19-14)20-17(22)12-6-8-21(9-7-12)30(25,26)16-3-2-10-27-16/h2-5,10-12H,6-9H2,1H3,(H,19,20,22)