4-[(4-ethanoylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenecarboximidate

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenecarboximidate Openeye Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenecarboximidate CAS Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenecarboximidate IUPAC Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenecarboximidate Traditional Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenecarboximidate Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NCC3=CC=CC=C3C[NH+]4CCCC4)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NCC3=CC=CC=C3C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C27H29N3O4S/c1-20(31)21-10-14-26(15-11-21)35(33,34)29-25-12-8-22(9-13-25)27(32)28-18-23-6-2-3-7-24(23)19-30-16-4-5-17-30/h2-3,6-15,29H,4-5,16-19H2,1H3,(H,28,32)