[(8R,9S,13S,14S,17S)-2-ethyl-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate

Systemtic Name: [(8R,9S,13S,14S,17S)-2-ethyl-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate Openeye Name: [(8R,9S,13S,14S,17S)-2-ethyl-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate CAS Name: sulfamic acid [(8R,9S,13S,14S,17S)-2-ethyl-13-methyl-17-sulfamoyldioxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-2-ethyl-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate Traditional Name: sulfamic acid [(8R,9S,13S,14S,17S)-2-ethyl-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy ester Formula: C20H30N2O7S2 MolecularWeight: 475.591131

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4OOS(=O)(=O)N)C)OS(=O)(=O)N

Isomeric SMILES

CCC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4[17O]OS(=O)(=O)N)C)OS(=O)(=O)N

InChI

InChI=1S/C20H30N2O7S2/c1-3-12-10-16-13(11-18(12)28-30(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)27-29-31(22,25)26/h10-11,14-15,17,19H,3-9H2,1-2H3,(H2,21,23,24)(H2,22,25,26)/t14-,15+,17-,19-,20-/m0/s1/i27+1