N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C20H24N5O5S+ MolecularWeight: 446.50006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CC1

InChI

InChI=1S/C20H23N5O5S/c1-23-13-11-16(12-14-23)21-22-20(26)15-24(17-7-9-18(10-8-17)25(27)28)31(29,30)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,22,26)/p+1