N-(2-phenoxyphenyl)-3-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-phenoxyphenyl)-3-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-phenoxyphenyl)propanamide CAS Name: 3-[4-(benzenesulfonamido)-1-piperidin-1-iumyl]-N-(2-phenoxyphenyl)propanamide IUPAC Name: 3-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-phenoxyphenyl)propanamide Traditional Name: 3-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-phenoxyphenyl)propionamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC=C2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c30-26(27-24-13-7-8-14-25(24)33-22-9-3-1-4-10-22)17-20-29-18-15-21(16-19-29)28-34(31,32)23-11-5-2-6-12-23/h1-14,21,28H,15-20H2,(H,27,30)/p+1