[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]-benzyl-isopropyl-ammonium CAS Name: [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-benzyl-propan-2-ylazanium Traditional Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]-benzyl-isopropyl-ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C25H35N3O4S/c1-20(2)27(18-21-11-7-6-8-12-21)19-25(29)26-23-17-22(13-14-24(23)32-3)33(30,31)28-15-9-4-5-10-16-28/h6-8,11-14,17,20H,4-5,9-10,15-16,18-19H2,1-3H3,(H,26,29)/p+1