[2-[2-(1-methylindol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid

Systemtic Name: [2-[2-(1-methylindol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [2-[2-(1-methylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [2-[2-(1-methyl-3-indolyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [2-[2-(1-methylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [2-[2-(1-methylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(=O)N3CCC4=C(C3)C=C(C=C4)NS(=O)(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(=O)N3CCC4=C(C3)C=C(C=C4)NS(=O)(=O)O

InChI

InChI=1S/C20H21N3O4S/c1-22-12-16(18-4-2-3-5-19(18)22)11-20(24)23-9-8-14-6-7-17(10-15(14)13-23)21-28(25,26)27/h2-7,10,12,21H,8-9,11,13H2,1H3,(H,25,26,27)