(3-phenyl-2,1-benzoxazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (3-phenyl-2,1-benzoxazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: (3-phenyl-2,1-benzoxazol-5-yl)-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (3-phenyl-2,1-benzoxazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (3-phenylanthranil-5-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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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)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H19N3O4S2/c26-22(24-10-12-25(13-11-24)31(27,28)20-7-4-14-30-20)17-8-9-19-18(15-17)21(29-23-19)16-5-2-1-3-6-16/h1-9,14-15H,10-13H2