methyl 4-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: methyl 4-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate Openeye Name: methyl 4-methyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzoate CAS Name: 4-methyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonyl-4-methyl-benzoic acid methyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C13H16N2O5S/c1-9-3-4-10(13(17)20-2)7-11(9)21(18,19)15-6-5-14-12(16)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)