(3S)-N-cycloheptyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-cycloheptyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-cycloheptyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-cycloheptyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-cycloheptyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-cycloheptyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H27FN2O3S MolecularWeight: 430.535483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCC(CC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN2O3S/c24-19-11-13-21(14-12-19)30(28,29)26-16-18-8-6-5-7-17(18)15-22(26)23(27)25-20-9-3-1-2-4-10-20/h5-8,11-14,20,22H,1-4,9-10,15-16H2,(H,25,27)/t22-/m0/s1