2-[4-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H30N5O5S+ MolecularWeight: 428.5263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H29N5O5S/c1-14(2)20-17(24)13-21-3-5-22(6-4-21)18(25)16-11-15(12-19-16)29(26,27)23-7-9-28-10-8-23/h11-12,14,19H,3-10,13H2,1-2H3,(H,20,24)/p+1