3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]propyl-benzyl-methyl-ammonium CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]propyl-benzyl-methylazanium Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]propyl-benzyl-methyl-ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O4S/c1-27(20-21-11-6-5-7-12-21)16-10-15-26-25(29)23-19-22(13-14-24(23)32-2)33(30,31)28-17-8-3-4-9-18-28/h5-7,11-14,19H,3-4,8-10,15-18,20H2,1-2H3,(H,26,29)/p+1