3-[ethyl-[(4-sulfophenyl)methyl]amino]benzenesulfonic acid

Systemtic Name: 3-[ethyl-[(4-sulfophenyl)methyl]amino]benzenesulfonic acid Openeye Name: 3-[ethyl-[(4-sulfophenyl)methyl]amino]benzenesulfonic acid CAS Name: 3-[ethyl-[(4-sulfophenyl)methyl]amino]benzenesulfonic acid IUPAC Name: 3-[ethyl-[(4-sulfophenyl)methyl]amino]benzenesulfonic acid Traditional Name: 3-[ethyl-(4-sulfobenzyl)amino]besylic acid Formula: C15H17NO6S2 MolecularWeight: 371.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H17NO6S2/c1-2-16(13-4-3-5-15(10-13)24(20,21)22)11-12-6-8-14(9-7-12)23(17,18)19/h3-10H,2,11H2,1H3,(H,17,18,19)(H,20,21,22)