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

Systemtic Name: tert-butyl-[3-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]propyl]ammonium CAS Name: tert-butyl-[3-[[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)amino]propyl]azanium Traditional Name: tert-butyl-[3-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]propyl]ammonium Formula: C18H29ClN3O4S+ MolecularWeight: 418.95856

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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)N2CCOCC2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H28ClN3O4S/c1-18(2,3)21-8-4-7-20-17(23)14-5-6-15(19)16(13-14)27(24,25)22-9-11-26-12-10-22/h5-6,13,21H,4,7-12H2,1-3H3,(H,20,23)/p+1