methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](C)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)NC(=O)C[NH+](C)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H28N4O4S/c1-14(2)19-17(23)12-21(3)13-18(24)20-15-7-6-8-16(11-15)27(25,26)22-9-4-5-10-22/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,19,23)(H,20,24)/p+1