(3S)-N-[(1S,2S)-2-methylcyclohexyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[(1S,2S)-2-methylcyclohexyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[(1S,2S)-2-methylcyclohexyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[(1S,2S)-2-methylcyclohexyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[(1S,2S)-2-methylcyclohexyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[(1S,2S)-2-methylcyclohexyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N2O3S2/c1-15-7-2-5-10-18(15)22-21(24)19-13-16-8-3-4-9-17(16)14-23(19)28(25,26)20-11-6-12-27-20/h3-4,6,8-9,11-12,15,18-19H,2,5,7,10,13-14H2,1H3,(H,22,24)/t15-,18-,19-/m0/s1