[13-methyl-17-(pyrazin-2-ylcarbamoyl)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfamate

Systemtic Name: [13-methyl-17-(pyrazin-2-ylcarbamoyl)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfamate Openeye Name: [13-methyl-17-(pyrazin-2-ylcarbamoyl)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfamate CAS Name: sulfamic acid [13-methyl-17-[oxo-(2-pyrazinylamino)methyl]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [13-methyl-17-(pyrazin-2-ylcarbamoyl)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfamate Traditional Name: sulfamic acid [13-methyl-17-(pyrazin-2-ylcarbamoyl)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC=C2C(=O)NC4=NC=CN=C4)CCC5=C3C=CC(=C5)OS(=O)(=O)N

Isomeric SMILES

CC12CCC3C(C1CC=C2C(=O)NC4=NC=CN=C4)CCC5=C3C=CC(=C5)OS(=O)(=O)N

InChI

InChI=1S/C23H26N4O4S/c1-23-9-8-17-16-5-3-15(31-32(24,29)30)12-14(16)2-4-18(17)19(23)6-7-20(23)22(28)27-21-13-25-10-11-26-21/h3,5,7,10-13,17-19H,2,4,6,8-9H2,1H3,(H2,24,29,30)(H,26,27,28)