1-(4-tert-butylphenyl)-3-[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-7-yl]urea Openeye Name: 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-(1-besyl-3,4-dihydro-2H-quinolin-7-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(CCCN3S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

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