2-[[cyclohexyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[cyclohexyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 2-[(N-cyclohexyl-3-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 2-[(N-cyclohexyl-3-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 2-[(N-cyclohexyl-3-methylanilino)methyl]benzenesulfonic acid Traditional Name: 2-[(N-cyclohexyl-3-methyl-anilino)methyl]besylic acid Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2S(=O)(=O)O)C3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2S(=O)(=O)O)C3CCCCC3

InChI

InChI=1S/C20H25NO3S/c1-16-8-7-12-19(14-16)21(18-10-3-2-4-11-18)15-17-9-5-6-13-20(17)25(22,23)24/h5-9,12-14,18H,2-4,10-11,15H2,1H3,(H,22,23,24)