methyl 1-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonylcyclobutane-1-carboxylate

Systemtic Name: methyl 1-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonylcyclobutane-1-carboxylate Openeye Name: methyl 1-[[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]cyclobutanecarboxylate CAS Name: 1-[[4-[4-(3-methoxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[4-(3-methoxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonylcyclobutane-1-carboxylate Traditional Name: 1-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidino]sulfonylcyclobutanecarboxylic acid methyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCC3)C(=O)OC)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCC3)C(=O)OC)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H31NO5S/c1-18-16-20(8-9-23(18)21-6-4-7-22(17-21)30-2)19-10-14-26(15-11-19)32(28,29)25(12-5-13-25)24(27)31-3/h4,6-9,16-17,19H,5,10-15H2,1-3H3