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

Systemtic Name: 2-ethylsulfonyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(3-methyl-4-pyrrolidino-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-3-30(28,29)26-16-19-9-5-4-8-18(19)15-22(26)23(27)24-20-10-11-21(17(2)14-20)25-12-6-7-13-25/h4-5,8-11,14,22H,3,6-7,12-13,15-16H2,1-2H3,(H,24,27)