methyl 2-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[3-[ethyl(4-pyridylmethyl)amino]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[3-[ethyl(pyridin-4-ylmethyl)amino]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[3-[ethyl(4-pyridylmethyl)amino]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-3-23(15-17-10-12-22-13-11-17)18-7-6-14-24(16-18)29(26,27)20-9-5-4-8-19(20)21(25)28-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3