1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea

Systemtic Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea Openeye Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea CAS Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea IUPAC Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea Traditional Name: 1-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H29N3O6S/c1-5-10-32(27,28)25-9-8-15-6-7-17(11-16(15)14-25)23-22(26)24-18-12-19(29-2)21(31-4)20(13-18)30-3/h6-7,11-13H,5,8-10,14H2,1-4H3,(H2,23,24,26)