2-chloranyl-N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide; ethanedioic acid

Systemtic Name: 2-chloranyl-N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide; ethanedioic acid Openeye Name: 2-chloro-N-(4-pyridylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide; oxalic acid CAS Name: 2-chloro-N-(pyridin-4-ylmethyl)-N-[2-(1-pyrrolidinylsulfonyl)ethyl]-3-pyridinecarboxamide; oxalic acid IUPAC Name: 2-chloro-N-(pyridin-4-ylmethyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)pyridine-3-carboxamide; oxalic acid Traditional Name: 2-chloro-N-(4-pyridylmethyl)-N-(2-pyrrolidinosulfonylethyl)nicotinamide; oxalic acid Formula: C20H23ClN4O7S MolecularWeight: 498.93722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21ClN4O3S.C2H2O4/c19-17-16(4-3-7-21-17)18(24)22(14-15-5-8-20-9-6-15)12-13-27(25,26)23-10-1-2-11-23;3-1(4)2(5)6/h3-9H,1-2,10-14H2;(H,3,4)(H,5,6)