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

Systemtic Name: 1-(diphenylmethyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-benzhydryl-urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(diphenylmethyl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-benzhydrylurea Traditional Name: 1-benzhydryl-3-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c33-29(31-28(23-10-4-1-5-11-23)24-12-6-2-7-13-24)30-26-17-16-22-18-19-32(21-25(22)20-26)36(34,35)27-14-8-3-9-15-27/h1-17,20,28H,18-19,21H2,(H2,30,31,33)