N-[2-(azepan-1-ylsulfonyl)ethyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide; ethanedioic acid

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide; ethanedioic acid Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2,2-dimethyl-N-(3-pyridylmethyl)propanamide; oxalic acid CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-2,2-dimethyl-N-(3-pyridinylmethyl)propanamide; oxalic acid IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide; oxalic acid Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2,2-dimethyl-N-(3-pyridylmethyl)propionamide; oxalic acid Formula: C21H33N3O7S MolecularWeight: 471.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCCCCC1)CC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C(=O)N(CCS(=O)(=O)N1CCCCCC1)CC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31N3O3S.C2H2O4/c1-19(2,3)18(23)21(16-17-9-8-10-20-15-17)13-14-26(24,25)22-11-6-4-5-7-12-22;3-1(4)2(5)6/h8-10,15H,4-7,11-14,16H2,1-3H3;(H,3,4)(H,5,6)