5-[2-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[2-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[2-(azepan-1-ylsulfonyl)phenyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 5-[2-(1-azepanylsulfonyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[2-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[2-(azepan-1-ylsulfonyl)phenyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O3S/c1-16-10-12-17(13-11-16)20-22-21(27-23-20)18-8-4-5-9-19(18)28(25,26)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-15H2,1H3