1-cyclohexyl-3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-cyclohexyl-3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-cyclohexyl-3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxo-propyl]urea CAS Name: 1-cyclohexyl-3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]urea IUPAC Name: 1-cyclohexyl-3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]urea Traditional Name: 1-cyclohexyl-3-[3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-keto-propyl]urea Formula: C21H31FN4O4S MolecularWeight: 454.558643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H31FN4O4S/c22-17-7-9-19(10-8-17)31(29,30)26-14-4-13-25(15-16-26)20(27)11-12-23-21(28)24-18-5-2-1-3-6-18/h7-10,18H,1-6,11-16H2,(H2,23,24,28)