ethyl 4-(4-acridin-9-ylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(4-acridin-9-ylpiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-(4-acridin-9-ylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[[4-(9-acridinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acridin-9-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acridin-9-ylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC=CC4=NC5=CC=CC=C53

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC=CC4=NC5=CC=CC=C53

InChI

InChI=1S/C26H25N3O4S/c1-2-33-26(30)19-11-13-20(14-12-19)34(31,32)29-17-15-28(16-18-29)25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3