N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloranyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide; ethanedioic acid

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloranyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide; ethanedioic acid Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloro-N-(3-pyridylmethyl)pyridine-3-carboxamide; oxalic acid CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-2-chloro-N-(3-pyridinylmethyl)-3-pyridinecarboxamide; oxalic acid IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide; oxalic acid Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloro-N-(3-pyridylmethyl)nicotinamide; oxalic acid Formula: C22H27ClN4O7S MolecularWeight: 526.99038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C3=C(N=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C3=C(N=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25ClN4O3S.C2H2O4/c21-19-18(8-6-10-23-19)20(26)24(16-17-7-5-9-22-15-17)13-14-29(27,28)25-11-3-1-2-4-12-25;3-1(4)2(5)6/h5-10,15H,1-4,11-14,16H2;(H,3,4)(H,5,6)