1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-(4-tosyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC(C)(C)C

InChI

InChI=1S/C22H31N5O3S/c1-17-6-9-19(10-7-17)31(29,30)27-13-5-12-26(14-15-27)20-11-8-18(16-23-20)24-21(28)25-22(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H2,24,25,28)