9-imidazol-1-yl-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine

Systemtic Name: 9-imidazol-1-yl-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Openeye Name: 9-imidazol-1-yl-4-(p-tolylsulfonyl)-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine CAS Name: 9-(1-imidazolyl)-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine IUPAC Name: 9-imidazol-1-yl-4-(4-methylphenyl)sulfonyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Traditional Name: 9-imidazol-1-yl-4-tosyl-2,3,5,6-tetrahydro-1,7,4-benzodioxazonine Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C=C(C=C3)N4C=CN=C4)OCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C=C(C=C3)N4C=CN=C4)OCC2

InChI

InChI=1S/C20H21N3O4S/c1-16-2-5-18(6-3-16)28(24,25)23-10-12-26-19-7-4-17(22-9-8-21-15-22)14-20(19)27-13-11-23/h2-9,14-15H,10-13H2,1H3