(3S)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-fluoranyl-3-methyl-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(4-fluoro-3-methyl-phenyl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-fluoro-3-methyl-benzyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H21FN2O3S2 MolecularWeight: 396.499343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3)F

InChI

InChI=1S/C18H21FN2O3S2/c1-13-10-14(6-7-16(13)19)11-20-18(22)15-4-2-8-21(12-15)26(23,24)17-5-3-9-25-17/h3,5-7,9-10,15H,2,4,8,11-12H2,1H3,(H,20,22)/t15-/m0/s1