(13-ethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N-butanoylsulfamate

Systemtic Name: (13-ethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N-butanoylsulfamate Openeye Name: (13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N-butanoylsulfamate CAS Name: N-(1-oxobutyl)sulfamic acid (13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N-butanoylsulfamate Traditional Name: N-butyrylsulfamic acid (13-ethyl-17-hydroxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NS(=O)(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)CC

Isomeric SMILES

CCCC(=O)NS(=O)(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)CC

InChI

InChI=1S/C23H33NO5S/c1-3-5-22(26)24-30(27,28)29-16-7-9-17-15(14-16)6-8-19-18(17)12-13-23(4-2)20(19)10-11-21(23)25/h7,9,14,18-21,25H,3-6,8,10-13H2,1-2H3,(H,24,26)