methyl 2-[3-[methyl(phenethyl)amino]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[3-[methyl(phenethyl)amino]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[3-[methyl(phenethyl)amino]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[3-[methyl(phenethyl)amino]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[methyl(phenethyl)amino]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[3-[methyl(phenethyl)amino]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H28N2O4S/c1-23(16-14-18-9-4-3-5-10-18)19-11-8-15-24(17-19)29(26,27)21-13-7-6-12-20(21)22(25)28-2/h3-7,9-10,12-13,19H,8,11,14-17H2,1-2H3