4-chloranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C23H29ClN3O4S+ MolecularWeight: 479.01206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)Cl

InChI

InChI=1S/C23H28ClN3O4S/c24-21-8-7-18(15-22(21)32(29,30)27-9-3-4-10-27)23(28)25-16-19-5-1-2-6-20(19)17-26-11-13-31-14-12-26/h1-2,5-8,15H,3-4,9-14,16-17H2,(H,25,28)/p+1