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2-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)carbamoyl]benzoic acid

2-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)carbamoyl]benzoic acid

Systemtic Name:2-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)carbamoyl]benzoic acid
Openeye Name:2-[2-(1-piperidylsulfonyl)ethyl-(3-pyridylmethyl)carbamoyl]benzoic acid
CAS Name:2-[oxo-[2-(1-piperidinylsulfonyl)ethyl-(3-pyridinylmethyl)amino]methyl]benzoic acid
IUPAC Name:2-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)carbamoyl]benzoic acid
Traditional Name:2-[2-piperidinosulfonylethyl(3-pyridylmethyl)carbamoyl]benzoic acid
Formula: C21H25N3O5S
MolecularWeight: 431.5053
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C3=CC=CC=C3C(=O)O


Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C3=CC=CC=C3C(=O)O


InChI

InChI=1S/C21H25N3O5S/c25-20(18-8-2-3-9-19(18)21(26)27)23(16-17-7-6-10-22-15-17)13-14-30(28,29)24-11-4-1-5-12-24/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,26,27)


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