methyl 2-[4-[(4-methylphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-methylphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(p-tolylmethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(4-methylphenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methylphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-methylbenzyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-16-7-9-17(10-8-16)15-23-21(25)18-11-13-24(14-12-18)30(27,28)20-6-4-3-5-19(20)22(26)29-2/h3-10,18H,11-15H2,1-2H3,(H,23,25)