3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]propyl-tert-butyl-azanium

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]propyl-tert-butyl-azanium Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-tert-butyl-ammonium CAS Name: 3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]propyl-tert-butyl-ammonium Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H33N3O3S/c1-20(2,3)22-14-8-13-21-19(24)17-9-11-18(12-10-17)27(25,26)23-15-6-4-5-7-16-23/h9-12,22H,4-8,13-16H2,1-3H3,(H,21,24)/p+1