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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-pentan-3-yl-urea Openeye Name: 1-(1-ethylpropyl)-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-pentan-3-ylurea IUPAC Name: 1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-pentan-3-ylurea Traditional Name: 1-(1-ethylpropyl)-3-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1

InChI

InChI=1S/C22H29N3O3S/c1-4-19(5-2)23-22(26)24-20-9-8-17-12-13-25(15-18(17)14-20)29(27,28)21-10-6-16(3)7-11-21/h6-11,14,19H,4-5,12-13,15H2,1-3H3,(H2,23,24,26)