2-ethylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(4-pyrrolidinosulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S2/c1-2-31(27,28)25-16-18-8-4-3-7-17(18)15-21(25)22(26)23-19-9-11-20(12-10-19)32(29,30)24-13-5-6-14-24/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,23,26)