aminocarbonyl-[6-(5-bromanylthiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-bis(methylsulfonyl)azanium

Systemtic Name: aminocarbonyl-[6-(5-bromanylthiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-bis(methylsulfonyl)azanium Openeye Name: [6-(5-bromo-2-thienyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-carbamoyl-bis(methylsulfonyl)ammonium CAS Name: [6-(5-bromo-2-thiophenyl)-1-methoxy-6H-benzo[c][1]benzopyran-8-yl]-carbamoyl-bis(methylsulfonyl)ammonium IUPAC Name: [6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-carbamoyl-bis(methylsulfonyl)azanium Traditional Name: [6-(5-bromo-2-thienyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-carbamoyl-dimesyl-ammonium Formula: C21H20BrN2O7S3+ MolecularWeight: 588.4917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(C=C(C=C3)[N+](C(=O)N)(S(=O)(=O)C)S(=O)(=O)C)C(O2)C4=CC=C(S4)Br

Isomeric SMILES

COC1=CC=CC2=C1C3=C(C=C(C=C3)[N+](C(=O)N)(S(=O)(=O)C)S(=O)(=O)C)C(O2)C4=CC=C(S4)Br

InChI

InChI=1S/C21H19BrN2O7S3/c1-30-15-5-4-6-16-19(15)13-8-7-12(24(21(23)25,33(2,26)27)34(3,28)29)11-14(13)20(31-16)17-9-10-18(22)32-17/h4-11,20H,1-3H3,(H-,23,25)/p+1