phenyl 6-ethynyl-2-methoxy-9-methyl-10a-(phenylsulfonyl)-6,6a,7,10-tetrahydrophenanthridine-5-carboxylate

Systemtic Name: phenyl 6-ethynyl-2-methoxy-9-methyl-10a-(phenylsulfonyl)-6,6a,7,10-tetrahydrophenanthridine-5-carboxylate Openeye Name: phenyl 10a-(benzenesulfonyl)-6-ethynyl-2-methoxy-9-methyl-6,6a,7,10-tetrahydrophenanthridine-5-carboxylate CAS Name: 10a-(benzenesulfonyl)-6-ethynyl-2-methoxy-9-methyl-6,6a,7,10-tetrahydrophenanthridine-5-carboxylic acid phenyl ester IUPAC Name: phenyl 10a-(benzenesulfonyl)-6-ethynyl-2-methoxy-9-methyl-6,6a,7,10-tetrahydrophenanthridine-5-carboxylate Traditional Name: 10a-besyl-6-ethynyl-2-methoxy-9-methyl-6,6a,7,10-tetrahydrophenanthridine-5-carboxylic acid phenyl ester Formula: C30H27NO5S MolecularWeight: 513.60408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(N(C3=C(C2(C1)S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)OC)C(=O)OC5=CC=CC=C5)C#C

Isomeric SMILES

CC1=CCC2C(N(C3=C(C2(C1)S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)OC)C(=O)OC5=CC=CC=C5)C#C

InChI

InChI=1S/C30H27NO5S/c1-4-27-25-17-15-21(2)20-30(25,37(33,34)24-13-9-6-10-14-24)26-19-23(35-3)16-18-28(26)31(27)29(32)36-22-11-7-5-8-12-22/h1,5-16,18-19,25,27H,17,20H2,2-3H3