3-[[4-(4-azanyl-3,5-dimethyl-phenyl)-2,6-dimethyl-phenyl]amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[[4-(4-azanyl-3,5-dimethyl-phenyl)-2,6-dimethyl-phenyl]amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[4-(4-amino-3,5-dimethyl-phenyl)-2,6-dimethyl-anilino]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[4-(4-amino-3,5-dimethyl-phenyl)-2,6-dimethyl-anilino]-2-hydroxy-propane-1-sulfonic acid Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)NCC(CS(=O)(=O)O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)NCC(CS(=O)(=O)O)O)C

InChI

InChI=1S/C19H26N2O4S/c1-11-5-15(6-12(2)18(11)20)16-7-13(3)19(14(4)8-16)21-9-17(22)10-26(23,24)25/h5-8,17,21-22H,9-10,20H2,1-4H3,(H,23,24,25)