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

Systemtic Name: methyl 3-azanyl-4-(4-methylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: methyl 3-amino-4-(4-methylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 3-amino-4-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-methylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-amino-4-(4-methylpiperazino)sulfonyl-benzoic acid methyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C13H19N3O4S/c1-15-5-7-16(8-6-15)21(18,19)12-4-3-10(9-11(12)14)13(17)20-2/h3-4,9H,5-8,14H2,1-2H3