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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-p-anisyl-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-3-12-29(26,27)24-11-10-17-6-7-19(13-18(17)15-24)23-21(25)22-14-16-4-8-20(28-2)9-5-16/h4-9,13H,3,10-12,14-15H2,1-2H3,(H2,22,23,25)