1-(4-chlorophenyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea Openeye Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(4-chlorophenyl)urea Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O3S/c23-18-7-10-19(11-8-18)24-22(27)25-20-9-6-16-12-13-26(15-17(16)14-20)30(28,29)21-4-2-1-3-5-21/h1-11,14H,12-13,15H2,(H2,24,25,27)