N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-14-12-20(23-32-14)24-33(30,31)17-7-5-16(6-8-17)22-21(27)15-4-9-18(19(13-15)26(28)29)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,27)(H,23,24)