(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[2-(diisopropylamino)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[2-(diisopropylamino)ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCN(C(C)C)C(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCCN(C(C)C)C(C)C

InChI

InChI=1S/C20H33N3O3S/c1-6-27(25,26)23-14-18-10-8-7-9-17(18)13-19(23)20(24)21-11-12-22(15(2)3)16(4)5/h7-10,15-16,19H,6,11-14H2,1-5H3,(H,21,24)/t19-/m0/s1