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

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-24(16-18-9-5-3-6-10-18)17-22(26)23-19-11-12-20(29-2)21(15-19)30(27,28)25-13-7-4-8-14-25/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,23,26)/p+1