methyl 3-methyl-2-[[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonylamino]butanoate Openeye Name: methyl 3-methyl-2-[[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonylamino]butanoate CAS Name: 3-methyl-2-[[4-(2-phenyl-1,3-benzoxazol-5-yl)-1-piperazinyl]sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonylamino]butanoate Traditional Name: 3-methyl-2-[[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazino]sulfonylamino]butyric acid methyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O5S/c1-16(2)21(23(28)31-3)25-33(29,30)27-13-11-26(12-14-27)18-9-10-20-19(15-18)24-22(32-20)17-7-5-4-6-8-17/h4-10,15-16,21,25H,11-14H2,1-3H3