5-morpholin-4-ylsulfonyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-morpholin-4-ylsulfonyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-5-(4-morpholinylsulfonyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-besylpiperazino)methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C22H26N4O6S3 MolecularWeight: 538.66004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H26N4O6S3/c27-34(28,18-4-2-1-3-5-18)24-10-8-23(9-11-24)17-26-20-16-19(6-7-21(20)32-22(26)33)35(29,30)25-12-14-31-15-13-25/h1-7,16H,8-15,17H2