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

Systemtic Name: 3-[cyclohexyl-(3-methylphenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-cyclohexyl-3-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(N-cyclohexyl-3-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-cyclohexyl-3-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-cyclohexyl-3-methyl-anilino)propane-1-sulfonic acid Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)C2CCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCS(=O)(=O)O)C2CCCCC2

InChI

InChI=1S/C16H25NO3S/c1-14-7-5-10-16(13-14)17(11-6-12-21(18,19)20)15-8-3-2-4-9-15/h5,7,10,13,15H,2-4,6,8-9,11-12H2,1H3,(H,18,19,20)