phenyl (6R,6aS,7R,10aR)-6-ethynyl-2-methoxy-7-methyl-10-oxidanylidene-10a-(phenylsulfonyl)-6a,7-dihydro-6H-phenanthridine-5-carboxylate

Systemtic Name: phenyl (6R,6aS,7R,10aR)-6-ethynyl-2-methoxy-7-methyl-10-oxidanylidene-10a-(phenylsulfonyl)-6a,7-dihydro-6H-phenanthridine-5-carboxylate Openeye Name: phenyl (6R,6aS,7R,10aR)-10a-(benzenesulfonyl)-6-ethynyl-2-methoxy-7-methyl-10-oxo-6a,7-dihydro-6H-phenanthridine-5-carboxylate CAS Name: (6R,6aS,7R,10aR)-10a-(benzenesulfonyl)-6-ethynyl-2-methoxy-7-methyl-10-oxo-6a,7-dihydro-6H-phenanthridine-5-carboxylic acid phenyl ester IUPAC Name: phenyl (6R,6aS,7R,10aR)-10a-(benzenesulfonyl)-6-ethynyl-2-methoxy-7-methyl-10-oxo-6a,7-dihydro-6H-phenanthridine-5-carboxylate Traditional Name: (6R,6aS,7R,10aR)-10a-besyl-6-ethynyl-10-keto-2-methoxy-7-methyl-6a,7-dihydro-6H-phenanthridine-5-carboxylic acid phenyl ester Formula: C30H25NO6S MolecularWeight: 527.5876

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=O)C2(C1C(N(C3=C2C=C(C=C3)OC)C(=O)OC4=CC=CC=C4)C#C)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1C=CC(=O)[C@]2([C@@H]1[C@@H](N(C3=C2C=C(C=C3)OC)C(=O)OC4=CC=CC=C4)C#C)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H25NO6S/c1-4-25-28-20(2)15-18-27(32)30(28,38(34,35)23-13-9-6-10-14-23)24-19-22(36-3)16-17-26(24)31(25)29(33)37-21-11-7-5-8-12-21/h1,5-20,25,28H,2-3H3/t20-,25+,28+,30-/m1/s1