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

Systemtic Name: methyl 3-azanyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate Openeye Name: methyl 3-amino-4-(3-oxopiperazin-1-yl)sulfonyl-benzoate CAS Name: 3-amino-4-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-amino-4-(3-ketopiperazino)sulfonyl-benzoic acid methyl ester Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCNC(=O)C2)N

InChI

InChI=1S/C12H15N3O5S/c1-20-12(17)8-2-3-10(9(13)6-8)21(18,19)15-5-4-14-11(16)7-15/h2-3,6H,4-5,7,13H2,1H3,(H,14,16)