(3R)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(4,5,6,7-tetrahydroanthranil-3-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NOC(=C2C1)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2=NOC(=C2C1)NC(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H21N3O4S2/c21-16(18-17-13-6-1-2-7-14(13)19-24-17)12-5-3-9-20(11-12)26(22,23)15-8-4-10-25-15/h4,8,10,12H,1-3,5-7,9,11H2,(H,18,21)/t12-/m1/s1