N-[(2S,3R,4S)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-4-propan-2-yl-piperidin-3-yl]-1-phenyl-methanimine

Systemtic Name: N-[(2S,3R,4S)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-4-propan-2-yl-piperidin-3-yl]-1-phenyl-methanimine Openeye Name: N-[(2S,3R,4S)-2-isobutyl-4-isopropyl-1-(p-tolylsulfonyl)-3-piperidyl]-1-phenyl-methanimine CAS Name: N-[(2S,3R,4S)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-4-propan-2-yl-3-piperidinyl]-1-phenylmethanimine IUPAC Name: N-[(2S,3R,4S)-1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)-4-propan-2-ylpiperidin-3-yl]-1-phenylmethanimine Traditional Name: benzal-[(2S,3R,4S)-2-isobutyl-4-isopropyl-1-tosyl-3-piperidyl]amine Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(C2CC(C)C)N=CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H]([C@@H]2CC(C)C)N=CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H36N2O2S/c1-19(2)17-25-26(27-18-22-9-7-6-8-10-22)24(20(3)4)15-16-28(25)31(29,30)23-13-11-21(5)12-14-23/h6-14,18-20,24-26H,15-17H2,1-5H3/t24-,25-,26+/m0/s1