N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: 2-benzyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: 2-benzyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: 2-benzyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNS(=O)(=O)C2=CC3=C(CCN(C3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CN1CCCC1CCNS(=O)(=O)C2=CC3=C(CCN(C3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C23H31N3O2S/c1-25-14-5-8-22(25)11-13-24-29(27,28)23-10-9-20-12-15-26(18-21(20)16-23)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,22,24H,5,8,11-15,17-18H2,1H3