1-[[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]urea

Systemtic Name: 1-[[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]urea Openeye Name: [4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]phenyl]methylurea CAS Name: [4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]phenyl]methylurea Traditional Name: [4-(4-tosyl-1,4-diazepane-1-carbonyl)benzyl]urea Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-16-3-9-19(10-4-16)30(28,29)25-12-2-11-24(13-14-25)20(26)18-7-5-17(6-8-18)15-23-21(22)27/h3-10H,2,11-15H2,1H3,(H3,22,23,27)