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

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-3-14-30(27,28)25-13-11-18-6-7-20(15-19(18)16-25)24-22(26)23-12-10-17-4-8-21(29-2)9-5-17/h4-9,15H,3,10-14,16H2,1-2H3,(H2,23,24,26)