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

Systemtic Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]propyl-tert-butyl-azanium Openeye Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propyl-tert-butyl-ammonium CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]propyl-tert-butyl-ammonium Formula: C20H33ClN3O3S+ MolecularWeight: 431.01232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN3O3S/c1-20(2,3)23-12-8-11-22-19(25)16-9-10-17(21)18(15-16)28(26,27)24-13-6-4-5-7-14-24/h9-10,15,23H,4-8,11-14H2,1-3H3,(H,22,25)/p+1