[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]-methyl-(2-thenyl)ammonium Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C20H27N3O4S2/c1-22(14-16-7-6-12-28-16)15-20(24)21-18-13-17(8-9-19(18)27-2)29(25,26)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,21,24)/p+1