7-(2-azanylpropanoyl)-6-(4-methylphenyl)sulfonyl-phenoxazin-3-one

Systemtic Name: 7-(2-azanylpropanoyl)-6-(4-methylphenyl)sulfonyl-phenoxazin-3-one Openeye Name: 7-(2-aminopropanoyl)-6-(p-tolylsulfonyl)phenoxazin-3-one CAS Name: 7-(2-amino-1-oxopropyl)-6-(4-methylphenyl)sulfonyl-3-phenoxazinone IUPAC Name: 7-(2-aminopropanoyl)-6-(4-methylphenyl)sulfonylphenoxazin-3-one Traditional Name: 7-alanyl-6-tosyl-phenoxazin-3-one Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC3=C2OC4=CC(=O)C=CC4=N3)C(=O)C(C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC3=C2OC4=CC(=O)C=CC4=N3)C(=O)C(C)N

InChI

InChI=1S/C22H18N2O5S/c1-12-3-6-15(7-4-12)30(27,28)22-16(20(26)13(2)23)8-10-18-21(22)29-19-11-14(25)5-9-17(19)24-18/h3-11,13H,23H2,1-2H3