methyl N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]carbamate

Systemtic Name: methyl N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]carbamate Openeye Name: methyl N-[4-[[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamate CAS Name: N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]carbamate Traditional Name: N-[4-[[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]carbamic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CC=NC=C4

Isomeric SMILES

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O4S/c1-29-22(26)24-18-6-8-19(9-7-18)30(27,28)25-15-12-16-4-2-3-5-20(16)21(25)17-10-13-23-14-11-17/h2-11,13-14,21H,12,15H2,1H3,(H,24,26)