(3-phenyl-2,1-benzoxazol-5-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone CAS Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-phenylanthranil-5-yl)methanone Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c29-25(21-11-12-23-22(17-21)24(32-26-23)20-9-5-2-6-10-20)27-13-15-28(16-14-27)33(30,31)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2