N-(1-azanylpropan-2-yl)-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-(1-azanylpropan-2-yl)-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-(2-amino-1-methyl-ethyl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride CAS Name: N-(1-aminopropan-2-yl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride IUPAC Name: N-(1-aminopropan-2-yl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride Traditional Name: N-(2-amino-1-methyl-ethyl)-N-(2-besylethyl)-1-keto-2H-isoquinoline-5-sulfonamide hydrochloride Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)N(CCS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl

Isomeric SMILES

CC(CN)N(CCS(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O.Cl

InChI

InChI=1S/C20H23N3O5S2.ClH/c1-15(14-21)23(12-13-29(25,26)16-6-3-2-4-7-16)30(27,28)19-9-5-8-18-17(19)10-11-22-20(18)24;/h2-11,15H,12-14,21H2,1H3,(H,22,24);1H