4-[(4S)-5-azanyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2,4-dihydropyrrol-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4S)-5-azanyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2,4-dihydropyrrol-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-[(4S)-5-amino-4-[4-(4-methoxyphenyl)thiazol-2-yl]-3-oxo-2,4-dihydropyrrol-1-ium-1-yl]benzenesulfonamide CAS Name: 4-[(4S)-5-amino-4-[4-(4-methoxyphenyl)-2-thiazolyl]-3-oxo-2,4-dihydropyrrol-1-ium-1-yl]benzenesulfonamide IUPAC Name: 4-[(4S)-5-amino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-oxo-2,4-dihydropyrrol-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-[(3S)-2-amino-4-keto-3-[4-(4-methoxyphenyl)thiazol-2-yl]-1-pyrrolin-1-ium-1-yl]benzenesulfonamide Formula: C20H19N4O4S2+ MolecularWeight: 443.51926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)C3C(=O)C[N+](=C3N)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)[C@@H]3C(=O)C[N+](=C3N)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H18N4O4S2/c1-28-14-6-2-12(3-7-14)16-11-29-20(23-16)18-17(25)10-24(19(18)21)13-4-8-15(9-5-13)30(22,26)27/h2-9,11,18,21H,10H2,1H3,(H2,22,26,27)/p+1/t18-/m1/s1