3-[(3-methylphenyl)-phenethyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[(3-methylphenyl)-phenethyl-amino]propane-1-sulfonic acid Openeye Name: 3-(3-methyl-N-phenethyl-anilino)propane-1-sulfonic acid CAS Name: 3-(3-methyl-N-phenethylanilino)-1-propanesulfonic acid IUPAC Name: 3-(3-methyl-N-phenethylanilino)propane-1-sulfonic acid Traditional Name: 3-(3-methyl-N-phenethyl-anilino)propane-1-sulfonic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO3S/c1-16-7-5-10-18(15-16)19(12-6-14-23(20,21)22)13-11-17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,21,22)