5-(azepan-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(p-tolyl)oxazole CAS Name: 5-(1-azepanyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)oxazole IUPAC Name: 5-(azepan-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-methylphenyl)-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(p-tolyl)oxazole Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H26N2O5S/c1-17-6-8-18(9-7-17)22-25-23(24(31-22)26-12-4-2-3-5-13-26)32(27,28)19-10-11-20-21(16-19)30-15-14-29-20/h6-11,16H,2-5,12-15H2,1H3