[(1S,3S,4aS,4bR,10bS,12aS)-8-methoxy-12a-methyl-1-phenylazanyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,3S,4aS,4bR,10bS,12aS)-8-methoxy-12a-methyl-1-phenylazanyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,3S,4aS,4bR,10bS,12aS)-1-anilino-8-methoxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,3S,4aS,4bR,10bS,12aS)-1-anilino-8-methoxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] ester IUPAC Name: [(1S,3S,4aS,4bR,10bS,12aS)-1-anilino-8-methoxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,3S,4aS,4bR,10bS,12aS)-1-anilino-8-methoxy-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1H-chrysen-3-yl] ester Formula: C33H39NO4S MolecularWeight: 545.73206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3C4CCC5=C(C4CCC3(C(C2)NC6=CC=CC=C6)C)C=CC(=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@H]3[C@@H]4CCC5=C([C@H]4CC[C@@]3([C@H](C2)NC6=CC=CC=C6)C)C=CC(=C5)OC

InChI

InChI=1S/C33H39NO4S/c1-22-9-13-27(14-10-22)39(35,36)38-26-20-31-30-15-11-23-19-25(37-3)12-16-28(23)29(30)17-18-33(31,2)32(21-26)34-24-7-5-4-6-8-24/h4-10,12-14,16,19,26,29-32,34H,11,15,17-18,20-21H2,1-3H3/t26-,29+,30+,31-,32-,33-/m0/s1