4-[methyl-(2-methylcyclohexyl)carbamoyl]benzenesulfonic acid; tris(fluoranyl)methanamine

Systemtic Name: 4-[methyl-(2-methylcyclohexyl)carbamoyl]benzenesulfonic acid; tris(fluoranyl)methanamine Openeye Name: 4-[methyl-(2-methylcyclohexyl)carbamoyl]benzenesulfonic acid; trifluoromethanamine CAS Name: 4-[[methyl-(2-methylcyclohexyl)amino]-oxomethyl]benzenesulfonic acid; trifluoromethanamine IUPAC Name: 4-[methyl-(2-methylcyclohexyl)carbamoyl]benzenesulfonic acid; trifluoromethanamine Traditional Name: 4-[methyl-(2-methylcyclohexyl)carbamoyl]besylic acid; trifluoromethylamine Formula: C16H23F3N2O4S MolecularWeight: 396.42503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)O.C(N)(F)(F)F

Isomeric SMILES

CC1CCCCC1N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)O.C(N)(F)(F)F

InChI

InChI=1S/C15H21NO4S.CH2F3N/c1-11-5-3-4-6-14(11)16(2)15(17)12-7-9-13(10-8-12)21(18,19)20;2-1(3,4)5/h7-11,14H,3-6H2,1-2H3,(H,18,19,20);5H2