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

Systemtic Name: (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(2-morpholino-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(2-morpholino-1,3-benzothiazol-6-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H24N4O4S3 MolecularWeight: 492.63466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C21H24N4O4S3/c26-20(15-3-1-7-25(14-15)32(27,28)19-4-2-12-30-19)22-16-5-6-17-18(13-16)31-21(23-17)24-8-10-29-11-9-24/h2,4-6,12-13,15H,1,3,7-11,14H2,(H,22,26)/t15-/m1/s1