(13-ethyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) N-ethanoylsulfamate

Systemtic Name: (13-ethyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) N-ethanoylsulfamate Openeye Name: (13-ethyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) N-acetylsulfamate CAS Name: N-acetylsulfamic acid (13-ethyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (13-ethyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) N-acetylsulfamate Traditional Name: N-acetylsulfamic acid (13-ethyl-17-keto-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)OS(=O)(=O)NC(=O)C

Isomeric SMILES

CCC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)OS(=O)(=O)NC(=O)C

InChI

InChI=1S/C21H23NO5S/c1-3-21-11-10-17-16-7-5-15(27-28(25,26)22-13(2)23)12-14(16)4-6-18(17)19(21)8-9-20(21)24/h4-7,12,19H,3,8-11H2,1-2H3,(H,22,23)