1-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]urea CAS Name: 1-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]urea Traditional Name: 1-benzyl-3-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]urea Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O3S/c24-19-9-12-21(13-10-19)31(29,30)27-14-4-7-18-8-11-20(15-22(18)27)26-23(28)25-16-17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14,16H2,(H2,25,26,28)