(1-methylcyclopropyl)methyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate

Systemtic Name: (1-methylcyclopropyl)methyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate Openeye Name: (1-methylcyclopropyl)methyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate CAS Name: 4-[4-(4-methylsulfonylphenyl)butyl]-1-piperidinecarboxylic acid (1-methylcyclopropyl)methyl ester IUPAC Name: (1-methylcyclopropyl)methyl 4-[4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-mesylphenyl)butyl]piperidine-1-carboxylic acid (1-methylcyclopropyl)methyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)COC(=O)N2CCC(CC2)CCCCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1(CC1)COC(=O)N2CCC(CC2)CCCCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H33NO4S/c1-22(13-14-22)17-27-21(24)23-15-11-19(12-16-23)6-4-3-5-18-7-9-20(10-8-18)28(2,25)26/h7-10,19H,3-6,11-17H2,1-2H3