2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C(C)C

InChI

InChI=1S/C21H35N3O3S/c1-17(2)24(18(3)4)16-13-22-21(25)19-9-11-20(12-10-19)28(26,27)23-14-7-5-6-8-15-23/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,22,25)/p+1