[3-(methylcarbamoyl)-2-(2-naphthalen-1-ylethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid

Systemtic Name: [3-(methylcarbamoyl)-2-(2-naphthalen-1-ylethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [3-(methylcarbamoyl)-2-[2-(1-naphthyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [3-(methylcarbamoyl)-2-[2-(1-naphthalenyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [3-(methylcarbamoyl)-2-(2-naphthalen-1-ylethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [3-(methylcarbamoyl)-2-[2-(1-naphthyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(CN1S(=O)(=O)CCC3=CC=CC4=CC=CC=C43)C=C(C=C2)NS(=O)(=O)O

Isomeric SMILES

CNC(=O)C1CC2=C(CN1S(=O)(=O)CCC3=CC=CC4=CC=CC=C43)C=C(C=C2)NS(=O)(=O)O

InChI

InChI=1S/C23H25N3O6S2/c1-24-23(27)22-14-18-9-10-20(25-34(30,31)32)13-19(18)15-26(22)33(28,29)12-11-17-7-4-6-16-5-2-3-8-21(16)17/h2-10,13,22,25H,11-12,14-15H2,1H3,(H,24,27)(H,30,31,32)