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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3-phenylpropyl)urea Openeye Name: 1-(3-phenylpropyl)-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-(3-phenylpropyl)urea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-(3-phenylpropyl)urea Traditional Name: 1-(3-phenylpropyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C26H29N3O3S MolecularWeight: 463.59176

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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)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-20-9-13-25(14-10-20)33(31,32)29-17-15-22-11-12-24(18-23(22)19-29)28-26(30)27-16-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-14,18H,5,8,15-17,19H2,1H3,(H2,27,28,30)