2-ethylsulfonyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(6-pyrrolidin-1-yl-3-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[6-(1-pyrrolidinyl)-3-pyridinyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(6-pyrrolidino-3-pyridyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H26N4O3S/c1-2-29(27,28)25-15-17-8-4-3-7-16(17)13-19(25)21(26)23-18-9-10-20(22-14-18)24-11-5-6-12-24/h3-4,7-10,14,19H,2,5-6,11-13,15H2,1H3,(H,23,26)