(3S)-1-(4-fluorophenyl)carbonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorobenzoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorobenzoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorobenzoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)nipecotamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O3S/c1-28-16-5-2-6-17-18(16)23-21(29-17)24-19(26)14-4-3-11-25(12-14)20(27)13-7-9-15(22)10-8-13/h2,5-10,14H,3-4,11-12H2,1H3,(H,23,24,26)/t14-/m0/s1