tert-butyl 9-methoxy-7-oxidanylidene-12-(phenylsulfonyl)-5H-indolo[3,2-d][2]benzazepine-6-carboxylate

Systemtic Name: tert-butyl 9-methoxy-7-oxidanylidene-12-(phenylsulfonyl)-5H-indolo[3,2-d][2]benzazepine-6-carboxylate Openeye Name: tert-butyl 12-(benzenesulfonyl)-9-methoxy-7-oxo-5H-indolo[3,2-d][2]benzazepine-6-carboxylate CAS Name: 12-(benzenesulfonyl)-9-methoxy-7-oxo-5H-indolo[3,2-d][2]benzazepine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 12-(benzenesulfonyl)-9-methoxy-7-oxo-5H-indolo[3,2-d][2]benzazepine-6-carboxylate Traditional Name: 12-besyl-7-keto-9-methoxy-5H-indolo[3,2-d][2]benzazepine-6-carboxylic acid tert-butyl ester Formula: C28H26N2O6S MolecularWeight: 518.58084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C3=C(C1=O)C4=C(N3S(=O)(=O)C5=CC=CC=C5)C=CC(=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C3=C(C1=O)C4=C(N3S(=O)(=O)C5=CC=CC=C5)C=CC(=C4)OC

InChI

InChI=1S/C28H26N2O6S/c1-28(2,3)36-27(32)29-17-18-10-8-9-13-21(18)25-24(26(29)31)22-16-19(35-4)14-15-23(22)30(25)37(33,34)20-11-6-5-7-12-20/h5-16H,17H2,1-4H3