1-[2-(4-methoxyphenyl)ethyl]-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[2-(4-methoxyphenyl)ethyl]urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[2-(4-methoxyphenyl)ethyl]urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-[2-(4-methoxyphenyl)ethyl]urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H27N3O4S/c1-32-23-11-7-19(8-12-23)13-15-26-25(29)27-22-10-9-20-14-16-28(18-21(20)17-22)33(30,31)24-5-3-2-4-6-24/h2-12,17H,13-16,18H2,1H3,(H2,26,27,29)