methyl 2-naphthalen-2-ylsulfanyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 2-naphthalen-2-ylsulfanyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: methyl 2-(2-naphthylsulfanyl)-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(2-naphthalenylthio)-5-(1-piperidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-naphthalen-2-ylsulfanyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-(2-naphthylthio)-5-piperidinosulfonyl-benzoic acid methyl ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)SC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)SC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23NO4S2/c1-28-23(25)21-16-20(30(26,27)24-13-5-2-6-14-24)11-12-22(21)29-19-10-9-17-7-3-4-8-18(17)15-19/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3