2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]ethyl-diisopropyl-ammonium Formula: C19H31ClN3O3S+ MolecularWeight: 416.98574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)C(C)C

InChI

InChI=1S/C19H30ClN3O3S/c1-14(2)23(15(3)4)12-9-21-19(24)17-13-16(7-8-18(17)20)27(25,26)22-10-5-6-11-22/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,21,24)/p+1