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

Systemtic Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(p-tolylsulfonyl)-2-(2-thienyl)oxazole CAS Name: 5-(1-azepanyl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yloxazole IUPAC Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(2-thienyl)-4-tosyl-oxazole Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CS3)N4CCCCCC4

InChI

InChI=1S/C20H22N2O3S2/c1-15-8-10-16(11-9-15)27(23,24)19-20(22-12-4-2-3-5-13-22)25-18(21-19)17-7-6-14-26-17/h6-11,14H,2-5,12-13H2,1H3