[2-(4-piperidin-4-ylbutoxy)phenyl]methyl 2-methyl-3-(phenylmethyl)sulfonyl-propanoate

Systemtic Name: [2-(4-piperidin-4-ylbutoxy)phenyl]methyl 2-methyl-3-(phenylmethyl)sulfonyl-propanoate Openeye Name: [2-[4-(4-piperidyl)butoxy]phenyl]methyl 3-benzylsulfonyl-2-methyl-propanoate CAS Name: 2-methyl-3-(phenylmethyl)sulfonylpropanoic acid [2-[4-(4-piperidinyl)butoxy]phenyl]methyl ester IUPAC Name: [2-(4-piperidin-4-ylbutoxy)phenyl]methyl 3-benzylsulfonyl-2-methylpropanoate Traditional Name: 3-benzylsulfonyl-2-methyl-propionic acid [2-[4-(4-piperidyl)butoxy]benzyl] ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2OCCCCC3CCNCC3

Isomeric SMILES

CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2OCCCCC3CCNCC3

InChI

InChI=1S/C27H37NO5S/c1-22(20-34(30,31)21-24-10-3-2-4-11-24)27(29)33-19-25-12-5-6-13-26(25)32-18-8-7-9-23-14-16-28-17-15-23/h2-6,10-13,22-23,28H,7-9,14-21H2,1H3