2-ethylsulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-esyl-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)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-2-30(28,29)26-16-20-11-7-6-10-19(20)14-22(26)23(27)24-21-12-13-25(17-21)15-18-8-4-3-5-9-18/h3-11,21-22H,2,12-17H2,1H3,(H,24,27)