azanyl 3-methyl-2-[2-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonyl-butanoate

Systemtic Name: azanyl 3-methyl-2-[2-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonyl-butanoate Openeye Name: amino 3-methyl-2-[2-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonyl-butanoate CAS Name: 3-methyl-2-[[2-(2-phenyl-1,3-benzoxazol-5-yl)-1-piperazinyl]sulfonyl]butanoic acid amino ester IUPAC Name: amino 3-methyl-2-[2-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonylbutanoate Traditional Name: 3-methyl-2-[2-(2-phenyl-1,3-benzoxazol-5-yl)piperazino]sulfonyl-butyric acid amino ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)ON)S(=O)(=O)N1CCNCC1C2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)ON)S(=O)(=O)N1CCNCC1C2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O5S/c1-14(2)20(22(27)31-23)32(28,29)26-11-10-24-13-18(26)16-8-9-19-17(12-16)25-21(30-19)15-6-4-3-5-7-15/h3-9,12,14,18,20,24H,10-11,13,23H2,1-2H3