(3S,4R)-3-[(4-methylphenyl)sulfonylmethyl]-1-(phenylmethyl)-4-prop-1-en-2-yl-pyrrolidine

Systemtic Name: (3S,4R)-3-[(4-methylphenyl)sulfonylmethyl]-1-(phenylmethyl)-4-prop-1-en-2-yl-pyrrolidine Openeye Name: (3R,4S)-1-benzyl-3-isopropenyl-4-(p-tolylsulfonylmethyl)pyrrolidine CAS Name: (3R,4S)-3-(1-methylethenyl)-4-[(4-methylphenyl)sulfonylmethyl]-1-(phenylmethyl)pyrrolidine IUPAC Name: (3S,4R)-1-benzyl-3-[(4-methylphenyl)sulfonylmethyl]-4-prop-1-en-2-ylpyrrolidine Traditional Name: (3R,4S)-1-benzyl-3-isopropenyl-4-(tosylmethyl)pyrrolidine Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2CN(CC2C(=C)C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2S/c1-17(2)22-15-23(13-19-7-5-4-6-8-19)14-20(22)16-26(24,25)21-11-9-18(3)10-12-21/h4-12,20,22H,1,13-16H2,2-3H3/t20-,22-/m0/s1