N-[[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-3-thiophen-3-yl-propanamide

Systemtic Name: N-[[4-(4,9-diethoxy-3-oxidanylidene-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-3-(3-thienyl)propanamide CAS Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[4-(4,9-diethoxy-3-keto-1H-benz[f]isoindol-2-yl)benzyl]sulfonyl-3-(3-thienyl)propionamide Formula: C30H30N2O6S2 MolecularWeight: 578.699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CS(=O)(=O)NC(=O)CCC5=CSC=C5

Isomeric SMILES

CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CS(=O)(=O)NC(=O)CCC5=CSC=C5

InChI

InChI=1S/C30H30N2O6S2/c1-3-37-28-23-7-5-6-8-24(23)29(38-4-2)27-25(28)17-32(30(27)34)22-12-9-21(10-13-22)19-40(35,36)31-26(33)14-11-20-15-16-39-18-20/h5-10,12-13,15-16,18H,3-4,11,14,17,19H2,1-2H3,(H,31,33)