methyl 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate

Systemtic Name: methyl 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-morpholin-4-ylsulfonyl-pyridine-3-carboxylate Openeye Name: methyl 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-morpholinosulfonyl-pyridine-3-carboxylate CAS Name: 6-[(1-cyclopropyl-3-pyrrolidinyl)methylamino]-5-(4-morpholinylsulfonyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-morpholin-4-ylsulfonylpyridine-3-carboxylate Traditional Name: 6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-morpholinosulfonyl-nicotinic acid methyl ester Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)NCC2CCN(C2)C3CC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)NCC2CCN(C2)C3CC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H28N4O5S/c1-27-19(24)15-10-17(29(25,26)23-6-8-28-9-7-23)18(21-12-15)20-11-14-4-5-22(13-14)16-2-3-16/h10,12,14,16H,2-9,11,13H2,1H3,(H,20,21)