2-[(4-methoxycarbonylphenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methylazaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[(4-methoxycarbonylphenyl)methylammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[(4-methoxycarbonylphenyl)methylammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[(4-methoxycarbonylphenyl)methylazaniumyl]ethyl-methylsulfonylazanide Traditional Name: 2-[(4-carbomethoxybenzyl)ammonio]ethyl-mesyl-azanide Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CC[N-]S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC[N-]S(=O)(=O)C

InChI

InChI=1S/C12H17N2O4S/c1-18-12(15)11-5-3-10(4-6-11)9-13-7-8-14-19(2,16)17/h3-6,13H,7-9H2,1-2H3/q-1/p+1