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

Systemtic Name: methyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]-methyl-(2-thenyl)ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-16-8-9-18(28(25,26)23-10-4-3-5-11-23)13-19(16)21-20(24)15-22(2)14-17-7-6-12-27-17/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,21,24)/p+1