2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCC2

InChI

InChI=1S/C18H28N4O4S/c1-15(23)20-16-6-8-17(9-7-16)27(25,26)21(2)14-18(24)19-10-5-13-22-11-3-4-12-22/h6-9H,3-5,10-14H2,1-2H3,(H,19,24)(H,20,23)/p+1