4-[2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]ethyl]benzenesulfonamide Formula: C17H23N4O4S2+ MolecularWeight: 411.51892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H22N4O4S2/c18-26(22,23)15-5-3-14(4-6-15)9-10-19-17-8-7-16(13-20-17)27(24,25)21-11-1-2-12-21/h3-8,13H,1-2,9-12H2,(H,19,20)(H2,18,22,23)/p+1