5-(azepan-1-yl)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(4-ethoxyphenyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyloxazole IUPAC Name: 5-(azepan-1-yl)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-p-phenetyl-4-tosyl-oxazole Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O4S/c1-3-29-20-12-10-19(11-13-20)22-25-23(24(30-22)26-16-6-4-5-7-17-26)31(27,28)21-14-8-18(2)9-15-21/h8-15H,3-7,16-17H2,1-2H3