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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 3-(3-phenyl-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-phenyl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c1-18-8-10-20(11-9-18)32(29,30)27-15-5-14-26(16-17-27)22(28)13-12-21-24-23(25-31-21)19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3