3-[4-oxidanylidene-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-oxidanylidene-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-(4-benzylsulfonylpiperazin-1-yl)-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-oxo-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(4-benzylsulfonylpiperazin-1-yl)-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-(4-benzylsulfonylpiperazino)-4-keto-butyl]-1,3-benzoxazol-2-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C3=CC=CC=C3OC2=O)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C3=CC=CC=C3OC2=O)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S/c26-21(11-6-12-25-19-9-4-5-10-20(19)30-22(25)27)23-13-15-24(16-14-23)31(28,29)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2