N-[2-(azepan-1-ylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)methanamide; ethanedioic acid

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)methanamide; ethanedioic acid Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-N-(4-pyridylmethyl)formamide; oxalic acid CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)formamide; oxalic acid IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)formamide; oxalic acid Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-N-(4-pyridylmethyl)formamide; oxalic acid Formula: C17H25N3O7S MolecularWeight: 415.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CCN(CC2=CC=NC=C2)C=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CCN(CC2=CC=NC=C2)C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3O3S.C2H2O4/c19-14-17(13-15-5-7-16-8-6-15)11-12-22(20,21)18-9-3-1-2-4-10-18;3-1(4)2(5)6/h5-8,14H,1-4,9-13H2;(H,3,4)(H,5,6)