(3S)-2-hexanoyl-N-[2,4,6-trimethyl-3-(methylsulfonylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-hexanoyl-N-[2,4,6-trimethyl-3-(methylsulfonylamino)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-hexanoyl-N-[3-(methanesulfonamido)-2,4,6-trimethyl-phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[3-(methanesulfonamido)-2,4,6-trimethylphenyl]-2-(1-oxohexyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-hexanoyl-N-[3-(methanesulfonamido)-2,4,6-trimethylphenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-caproyl-N-[3-(methanesulfonamido)-2,4,6-trimethyl-phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C(=C(C=C3C)C)NS(=O)(=O)C)C

Isomeric SMILES

CCCCCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C(=C(C=C3C)C)NS(=O)(=O)C)C

InChI

InChI=1S/C26H35N3O4S/c1-6-7-8-13-23(30)29-16-21-12-10-9-11-20(21)15-22(29)26(31)27-24-17(2)14-18(3)25(19(24)4)28-34(5,32)33/h9-12,14,22,28H,6-8,13,15-16H2,1-5H3,(H,27,31)/t22-/m0/s1