1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NOC(=N1)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H28N4O4S/c1-3-5-18-21-19(28-22-18)10-11-20(25)23-12-4-13-24(15-14-23)29(26,27)17-8-6-16(2)7-9-17/h6-9H,3-5,10-15H2,1-2H3