4-(morpholin-4-ium-4-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-(4-morpholin-4-iumylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O4S/c26-22(19-5-3-18(4-6-19)17-24-13-15-29-16-14-24)23-20-7-9-21(10-8-20)30(27,28)25-11-1-2-12-25/h3-10H,1-2,11-17H2,(H,23,26)/p+1