4-(phenylsulfonylaminomethyl)-N-(pyridin-1-ium-3-ylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-(phenylsulfonylaminomethyl)-N-(pyridin-1-ium-3-ylmethyl)cyclohexane-1-carboxamide Openeye Name: 4-(benzenesulfonamidomethyl)-N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide CAS Name: 4-(benzenesulfonamidomethyl)-N-(3-pyridin-1-iumylmethyl)-1-cyclohexanecarboxamide IUPAC Name: 4-(benzenesulfonamidomethyl)-N-(pyridin-1-ium-3-ylmethyl)cyclohexane-1-carboxamide Traditional Name: 4-(benzenesulfonamidomethyl)-N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=C[NH+]=CC=C3

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C20H25N3O3S/c24-20(22-14-17-5-4-12-21-13-17)18-10-8-16(9-11-18)15-23-27(25,26)19-6-2-1-3-7-19/h1-7,12-13,16,18,23H,8-11,14-15H2,(H,22,24)/p+1