3-(1,3-benzoxazol-2-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzoxazol-2-yl)-1-(4-tosylpiperazino)propan-1-one Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4S/c1-16-6-8-17(9-7-16)29(26,27)24-14-12-23(13-15-24)21(25)11-10-20-22-18-4-2-3-5-19(18)28-20/h2-9H,10-15H2,1H3