[5-azanyl-2-chloranylsulfonyl-3,4-bis(methylsulfonyl)naphthalen-1-yl] methanesulfonate

Systemtic Name: [5-azanyl-2-chloranylsulfonyl-3,4-bis(methylsulfonyl)naphthalen-1-yl] methanesulfonate Openeye Name: [5-amino-2-chlorosulfonyl-3,4-bis(methylsulfonyl)-1-naphthyl] methanesulfonate CAS Name: methanesulfonic acid [5-amino-2-chlorosulfonyl-3,4-bis(methylsulfonyl)-1-naphthalenyl] ester IUPAC Name: [5-amino-2-chlorosulfonyl-3,4-bis(methylsulfonyl)naphthalen-1-yl] methanesulfonate Traditional Name: methanesulfonic acid (5-amino-2-chlorosulfonyl-3,4-dimesyl-1-naphthyl) ester Formula: C13H14ClNO9S4 MolecularWeight: 491.96456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C2=C1C(=CC=C2)N)OS(=O)(=O)C)S(=O)(=O)Cl)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C2=C1C(=CC=C2)N)OS(=O)(=O)C)S(=O)(=O)Cl)S(=O)(=O)C

InChI

InChI=1S/C13H14ClNO9S4/c1-25(16,17)11-9-7(5-4-6-8(9)15)10(24-27(3,20)21)12(28(14,22)23)13(11)26(2,18)19/h4-6H,15H2,1-3H3