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

Systemtic Name: 1-(4-butoxyphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea CAS Name: 1-(4-butoxyphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]urea Traditional Name: 1-(4-butoxyphenyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

InChI

InChI=1S/C27H31N3O4S/c1-3-4-17-34-25-11-9-23(10-12-25)28-27(31)29-24-8-7-21-15-16-30(19-22(21)18-24)35(32,33)26-13-5-20(2)6-14-26/h5-14,18H,3-4,15-17,19H2,1-2H3,(H2,28,29,31)