1-[(3-methylphenyl)-phenethyl-amino]ethanesulfonic acid

Systemtic Name: 1-[(3-methylphenyl)-phenethyl-amino]ethanesulfonic acid Openeye Name: 1-(3-methyl-N-phenethyl-anilino)ethanesulfonic acid CAS Name: 1-(3-methyl-N-phenethylanilino)ethanesulfonic acid IUPAC Name: 1-(3-methyl-N-phenethylanilino)ethanesulfonic acid Traditional Name: 1-(3-methyl-N-phenethyl-anilino)ethanesulfonic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC2=CC=CC=C2)C(C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC2=CC=CC=C2)C(C)S(=O)(=O)O

InChI

InChI=1S/C17H21NO3S/c1-14-7-6-10-17(13-14)18(15(2)22(19,20)21)12-11-16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H,19,20,21)