1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-3-phenyl-urea

Systemtic Name: 1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-3-phenyl-urea Openeye Name: 1-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]-3-phenyl-urea CAS Name: 1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-3-phenylurea IUPAC Name: 1-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]-3-phenylurea Traditional Name: 1-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]-3-phenyl-urea Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-18-8-10-20(11-9-18)31(29,30)26-15-5-14-25(16-17-26)21(27)12-13-23-22(28)24-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H2,23,24,28)