[[(2S,6S)-1-methyl-2,6-diphenyl-piperidin-4-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [[(2S,6S)-1-methyl-2,6-diphenyl-piperidin-4-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [[(2S,6S)-1-methyl-2,6-diphenyl-4-piperidylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[(2S,6S)-1-methyl-2,6-diphenyl-4-piperidinylidene]amino] ester IUPAC Name: [[(2S,6S)-1-methyl-2,6-diphenylpiperidin-4-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[(2S,6S)-1-methyl-2,6-diphenyl-4-piperidylidene]amino] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC(N(C(C2)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C[C@H](N([C@@H](C2)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c1-19-13-15-23(16-14-19)31(28,29)30-26-22-17-24(20-9-5-3-6-10-20)27(2)25(18-22)21-11-7-4-8-12-21/h3-16,24-25H,17-18H2,1-2H3/t24-,25-/m0/s1