1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]pyridin-1-ium-3-carboxamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24N4O4S/c1-15-7-8-17(12-18(15)29(27,28)24-10-3-2-4-11-24)22-19(25)14-23-9-5-6-16(13-23)20(21)26/h5-9,12-13H,2-4,10-11,14H2,1H3,(H2-,21,22,25,26)/p+1