1-(4-tert-butylphenyl)-3-[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]urea Openeye Name: 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-(1-besyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-tert-butylphenyl)urea Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-26(2,3)20-11-13-21(14-12-20)27-25(30)28-22-15-16-24-19(18-22)8-7-17-29(24)33(31,32)23-9-5-4-6-10-23/h4-6,9-16,18H,7-8,17H2,1-3H3,(H2,27,28,30)