(2S,3R,4S)-2-methyl-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-4-prop-1-en-2-yl-piperidin-3-amine

Systemtic Name: (2S,3R,4S)-2-methyl-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-4-prop-1-en-2-yl-piperidin-3-amine Openeye Name: (2S,3R,4S)-N-benzyl-4-isopropenyl-2-methyl-1-(p-tolylsulfonyl)piperidin-3-amine CAS Name: (2S,3R,4S)-2-methyl-4-(1-methylethenyl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-3-piperidinamine IUPAC Name: (2S,3R,4S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpiperidin-3-amine Traditional Name: benzyl-[(2S,3R,4S)-4-isopropenyl-2-methyl-1-tosyl-3-piperidyl]amine Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=C)C)NCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H]([C@@H](CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2S/c1-17(2)22-14-15-25(28(26,27)21-12-10-18(3)11-13-21)19(4)23(22)24-16-20-8-6-5-7-9-20/h5-13,19,22-24H,1,14-16H2,2-4H3/t19-,22-,23-/m0/s1