3,5-dimethyl-N-[2-(phenylsulfonylamino)-4-piperazin-1-yl-phenyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[2-(phenylsulfonylamino)-4-piperazin-1-yl-phenyl]-1,2-oxazole-4-sulfonamide Openeye Name: N-[2-(benzenesulfonamido)-4-piperazin-1-yl-phenyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[2-(benzenesulfonamido)-4-(1-piperazinyl)phenyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[2-(benzenesulfonamido)-4-piperazino-phenyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC2=C(C=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC2=C(C=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O5S2/c1-15-21(16(2)31-23-15)33(29,30)24-19-9-8-17(26-12-10-22-11-13-26)14-20(19)25-32(27,28)18-6-4-3-5-7-18/h3-9,14,22,24-25H,10-13H2,1-2H3