1-tert-butyl-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea

Systemtic Name: 1-tert-butyl-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea Openeye Name: 1-tert-butyl-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea CAS Name: 1-tert-butyl-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea IUPAC Name: 1-tert-butyl-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea Traditional Name: 1-tert-butyl-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)23-20(25)22-16-7-12-19-15(14-16)6-5-13-24(19)29(26,27)18-10-8-17(28-4)9-11-18/h7-12,14H,5-6,13H2,1-4H3,(H2,22,23,25)