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

Systemtic Name: (3R)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C17H16ClN3O3S3 MolecularWeight: 441.97524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C17H16ClN3O3S3/c18-12-5-6-13-14(9-12)26-17(19-13)20-16(22)11-3-1-7-21(10-11)27(23,24)15-4-2-8-25-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,19,20,22)/t11-/m1/s1