2-[2-[2-[(4-methylphenyl)sulfonylamino]ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(4-methylphenyl)sulfonylamino]ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanoic acid Openeye Name: 2-[2-[2-(p-tolylsulfonylamino)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid CAS Name: 2-[2-[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid IUPAC Name: 2-[2-[2-[(4-methylphenyl)sulfonylamino]acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid Traditional Name: 2-[2-[2-(tosylamino)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC3=C(C2)C=C(C=C3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC3=C(C2)C=C(C=C3)CC(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-14-2-6-18(7-3-14)28(26,27)21-12-19(23)22-9-8-16-5-4-15(11-20(24)25)10-17(16)13-22/h2-7,10,21H,8-9,11-13H2,1H3,(H,24,25)