2-ethylsulfonyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[1-(tetrahydrofuran-2-ylmethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[1-(2-oxolanylmethyl)-4-pyrazolyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[1-(tetrahydrofurfuryl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN(N=C3)CC4CCCO4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN(N=C3)CC4CCCO4

InChI

InChI=1S/C20H26N4O4S/c1-2-29(26,27)24-12-16-7-4-3-6-15(16)10-19(24)20(25)22-17-11-21-23(13-17)14-18-8-5-9-28-18/h3-4,6-7,11,13,18-19H,2,5,8-10,12,14H2,1H3,(H,22,25)