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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C22H25N5O4S MolecularWeight: 455.53

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4S/c1-17-3-5-19(6-4-17)32(29,30)27-14-2-13-26(15-16-27)21(28)8-7-20-24-22(25-31-20)18-9-11-23-12-10-18/h3-6,9-12H,2,7-8,13-16H2,1H3