methyl 2-[[4-(1-azanylethyl)phenyl]sulfonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[4-(1-azanylethyl)phenyl]sulfonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[4-(1-aminoethyl)phenyl]sulfonyl-methyl-amino]acetate CAS Name: 2-[[4-(1-aminoethyl)phenyl]sulfonyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(1-aminoethyl)phenyl]sulfonyl-methylamino]acetate Traditional Name: 2-[[4-(1-aminoethyl)phenyl]sulfonyl-methyl-amino]acetic acid methyl ester Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-9(13)10-4-6-11(7-5-10)19(16,17)14(2)8-12(15)18-3/h4-7,9H,8,13H2,1-3H3