(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23FN4O3S/c22-16-7-9-17(10-8-16)30(28,29)26-13-3-4-15(14-26)21(27)23-12-11-20-24-18-5-1-2-6-19(18)25-20/h1-2,5-10,15H,3-4,11-14H2,(H,23,27)(H,24,25)/t15-/m0/s1