diethyl-[2-[[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl]azanium

Systemtic Name: diethyl-[2-[[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl]azanium Openeye Name: diethyl-[2-[[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonio]ethyl]ammonium CAS Name: diethyl-[2-[[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonio]ethyl]ammonium IUPAC Name: diethyl-[2-[[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azaniumyl]ethyl]azanium Traditional Name: diethyl-[2-[[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]ammonio]ethyl]ammonium Formula: C20H36N4O3S+2 MolecularWeight: 412.58984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H34N4O3S/c1-4-23(5-2)14-11-21-16-20(25)22-18-10-9-17(3)19(15-18)28(26,27)24-12-7-6-8-13-24/h9-10,15,21H,4-8,11-14,16H2,1-3H3,(H,22,25)/p+2