methyl 2-[4-[4-(propan-2-yloxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[4-[4-(propan-2-yloxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-[4-(isopropoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[4-[4-[[oxo(propan-2-yloxy)methyl]amino]phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[4-(propan-2-yloxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-[4-(isopropoxycarbonylamino)phenyl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CC(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)OC

InChI

InChI=1S/C27H28N2O6S/c1-18(2)35-27(31)28-23-12-8-19(9-13-23)20-10-14-24(15-11-20)36(32,33)29-17-22-7-5-4-6-21(22)16-25(29)26(30)34-3/h4-15,18,25H,16-17H2,1-3H3,(H,28,31)