3-[[4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole

Systemtic Name: 3-[[4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Openeye Name: 3-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole CAS Name: 3-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole IUPAC Name: 3-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Traditional Name: 3-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4O4S/c1-29-18-9-8-17(22)14-19(18)31(27,28)26-11-5-10-25(12-13-26)15-20-23-21(30-24-20)16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3