[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C24H34N3O5S+ MolecularWeight: 476.60886

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H33N3O5S/c1-26(16-17-32-20-10-6-5-7-11-20)19-24(28)25-22-18-21(12-13-23(22)31-2)33(29,30)27-14-8-3-4-9-15-27/h5-7,10-13,18H,3-4,8-9,14-17,19H2,1-2H3,(H,25,28)/p+1