[2-(3-methylphenoxy)ethylamino] 4-azanylbenzenesulfonate

Systemtic Name: [2-(3-methylphenoxy)ethylamino] 4-azanylbenzenesulfonate Openeye Name: [2-(3-methylphenoxy)ethylamino] 4-aminobenzenesulfonate CAS Name: 4-aminobenzenesulfonic acid [2-(3-methylphenoxy)ethylamino] ester IUPAC Name: [2-(3-methylphenoxy)ethylamino] 4-aminobenzenesulfonate Traditional Name: 4-aminobenzenesulfonic acid [2-(3-methylphenoxy)ethylamino] ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNOS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCNOS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H18N2O4S/c1-12-3-2-4-14(11-12)20-10-9-17-21-22(18,19)15-7-5-13(16)6-8-15/h2-8,11,17H,9-10,16H2,1H3