2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C24H37N4O5S+ MolecularWeight: 493.63938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H36N4O5S/c29-23(19-26-12-8-20(9-13-26)24(30)27-10-3-1-2-4-11-27)25-21-6-5-7-22(18-21)34(31,32)28-14-16-33-17-15-28/h5-7,18,20H,1-4,8-17,19H2,(H,25,29)/p+1