N-[9,10-bis(oxidanylidene)anthracen-1-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxo-1-anthryl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxo-1-anthracenyl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxoanthracen-1-yl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-diketo-1-anthryl)benzamide Formula: C30H22N2O5S MolecularWeight: 522.57108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C30H22N2O5S/c33-28-23-8-3-4-9-24(23)29(34)27-25(28)10-5-11-26(27)31-30(35)20-12-14-22(15-13-20)38(36,37)32-17-16-19-6-1-2-7-21(19)18-32/h1-15H,16-18H2,(H,31,35)