N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)-5-methyl-pyridine-3-carboxamide dihydrochloride

Systemtic Name: N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)-5-methyl-pyridine-3-carboxamide dihydrochloride Openeye Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-5-methyl-pyridine-3-carboxamide dihydrochloride CAS Name: N-(2-amino-3-heptan-4-ylsulfonyl-1-oxopropyl)-5-methyl-3-pyridinecarboxamide dihydrochloride IUPAC Name: N-(2-amino-3-heptan-4-ylsulfonylpropanoyl)-5-methylpyridine-3-carboxamide dihydrochloride Traditional Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-5-methyl-nicotinamide dihydrochloride Formula: C17H29Cl2N3O4S MolecularWeight: 442.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)C1=CC(=CN=C1)C)N.Cl.Cl

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)C1=CC(=CN=C1)C)N.Cl.Cl

InChI

InChI=1S/C17H27N3O4S.2ClH/c1-4-6-14(7-5-2)25(23,24)11-15(18)17(22)20-16(21)13-8-12(3)9-19-10-13;;/h8-10,14-15H,4-7,11,18H2,1-3H3,(H,20,21,22);2*1H