2-azanyl-3-methyl-2-[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonyl-butanamide

Systemtic Name: 2-azanyl-3-methyl-2-[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonyl-butanamide Openeye Name: 2-amino-3-methyl-2-[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonyl-butanamide CAS Name: 2-amino-3-methyl-2-[[4-(2-phenyl-1,3-benzoxazol-5-yl)-1-piperazinyl]sulfonyl]butanamide IUPAC Name: 2-amino-3-methyl-2-[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazin-1-yl]sulfonylbutanamide Traditional Name: 2-amino-3-methyl-2-[4-(2-phenyl-1,3-benzoxazol-5-yl)piperazino]sulfonyl-butyramide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-15(2)22(24,21(23)28)32(29,30)27-12-10-26(11-13-27)17-8-9-19-18(14-17)25-20(31-19)16-6-4-3-5-7-16/h3-9,14-15H,10-13,24H2,1-2H3,(H2,23,28)