(3S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[2-(1H-indol-3-yl)ethyl]-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S/c1-28(26,27)24-14-17-7-3-2-6-15(17)12-20(24)21(25)22-11-10-16-13-23-19-9-5-4-8-18(16)19/h2-9,13,20,23H,10-12,14H2,1H3,(H,22,25)/t20-/m0/s1