2-(4-methoxyphenyl)sulfonyl-5-piperazin-1-ylsulfonyl-benzo[e][1,3]benzoxazole

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-5-piperazin-1-ylsulfonyl-benzo[e][1,3]benzoxazole Openeye Name: 2-(4-methoxyphenyl)sulfonyl-5-piperazin-1-ylsulfonyl-benzo[e][1,3]benzoxazole CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-(1-piperazinylsulfonyl)benzo[e][1,3]benzoxazole IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-5-piperazin-1-ylsulfonylbenzo[e][1,3]benzoxazole Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-piperazinosulfonyl-benzo[e][1,3]benzoxazole Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(O2)C=C(C4=CC=CC=C43)S(=O)(=O)N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(O2)C=C(C4=CC=CC=C43)S(=O)(=O)N5CCNCC5

InChI

InChI=1S/C22H21N3O6S2/c1-30-15-6-8-16(9-7-15)32(26,27)22-24-21-18-5-3-2-4-17(18)20(14-19(21)31-22)33(28,29)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3