methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: methyl-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C23H28N5O4S+ MolecularWeight: 470.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H27N5O4S/c1-16(27(2)15-21-25-20-8-4-3-7-19(20)23(30)26-21)22(29)24-17-9-11-18(12-10-17)33(31,32)28-13-5-6-14-28/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,24,29)(H,25,26,30)/p+1/t16-/m0/s1