1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-veratryl-urea Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H29N3O5S/c1-18-4-9-23(10-5-18)35(31,32)29-13-12-20-7-8-22(15-21(20)17-29)28-26(30)27-16-19-6-11-24(33-2)25(14-19)34-3/h4-11,14-15H,12-13,16-17H2,1-3H3,(H2,27,28,30)