3-morpholin-4-ylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: 3-morpholin-4-ylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-morpholinosulfonyl-benzenesulfonamide CAS Name: 3-(4-morpholinylsulfonyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-morpholinosulfonyl-benzenesulfonamide Formula: C22H30N3O5S2+ MolecularWeight: 480.6207

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O5S2/c26-31(27,23-20-9-11-24(12-10-20)18-19-5-2-1-3-6-19)21-7-4-8-22(17-21)32(28,29)25-13-15-30-16-14-25/h1-8,17,20,23H,9-16,18H2/p+1