2-[7-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid

Systemtic Name: 2-[7-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Openeye Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid CAS Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid IUPAC Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]pentanoic acid Traditional Name: 2-[7-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]valeric acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S/c1-2-6-19(20(23)24)22-12-11-15-9-10-17(13-16(15)14-22)21-27(25,26)18-7-4-3-5-8-18/h3-5,7-10,13,19,21H,2,6,11-12,14H2,1H3,(H,23,24)