N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2-(phenylsulfonylamino)ethanamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2-(phenylsulfonylamino)ethanamide Openeye Name: 2-(benzenesulfonamido)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(benzenesulfonamido)-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]acetamide IUPAC Name: 2-(benzenesulfonamido)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(benzenesulfonamido)-N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)CNS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)CNS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S/c25-20(15-21-28(26,27)19-9-5-2-6-10-19)23-22-18-11-13-24(14-12-18)16-17-7-3-1-4-8-17/h1-10,21H,11-16H2,(H,23,25)/p+1