methyl (3S)-3-[(3S)-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)piperidin-3-yl]butanoate

Systemtic Name: methyl (3S)-3-[(3S)-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)piperidin-3-yl]butanoate Openeye Name: methyl (3S)-3-[(3S)-1-benzyl-3-(p-tolylsulfonyl)-3-piperidyl]butanoate CAS Name: (3S)-3-[(3S)-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-3-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(3S)-1-benzyl-3-(4-methylphenyl)sulfonylpiperidin-3-yl]butanoate Traditional Name: (3S)-3-[(3S)-1-benzyl-3-tosyl-3-piperidyl]butyric acid methyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCN(C2)CC3=CC=CC=C3)C(C)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@]2(CCCN(C2)CC3=CC=CC=C3)[C@@H](C)CC(=O)OC

InChI

InChI=1S/C24H31NO4S/c1-19-10-12-22(13-11-19)30(27,28)24(20(2)16-23(26)29-3)14-7-15-25(18-24)17-21-8-5-4-6-9-21/h4-6,8-13,20H,7,14-18H2,1-3H3/t20-,24+/m0/s1