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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(naphthalen-1-ylmethyl)urea Openeye Name: 1-(1-naphthylmethyl)-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-naphthalenylmethyl)urea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(naphthalen-1-ylmethyl)urea Traditional Name: 1-(1-naphthylmethyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C28H27N3O3S MolecularWeight: 485.59728

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H27N3O3S/c1-20-9-13-26(14-10-20)35(33,34)31-16-15-21-11-12-25(17-24(21)19-31)30-28(32)29-18-23-7-4-6-22-5-2-3-8-27(22)23/h2-14,17H,15-16,18-19H2,1H3,(H2,29,30,32)