methyl 2-[(5-azanyl-2-ethyl-phenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[(5-azanyl-2-ethyl-phenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(5-amino-2-ethyl-phenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(5-amino-2-ethylphenyl)sulfonyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(5-amino-2-ethylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(5-amino-2-ethyl-phenyl)sulfonyl-methyl-amino]acetic acid methyl ester Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)N)S(=O)(=O)N(C)CC(=O)OC

Isomeric SMILES

CCC1=C(C=C(C=C1)N)S(=O)(=O)N(C)CC(=O)OC

InChI

InChI=1S/C12H18N2O4S/c1-4-9-5-6-10(13)7-11(9)19(16,17)14(2)8-12(15)18-3/h5-7H,4,8,13H2,1-3H3