2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-[2-(1-pyrrolidinyl)ethyl]amino]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(2-pyrrolidinoethyl)amino]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22ClN5O6S MolecularWeight: 471.91518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CCN2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CCN2CCCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O6S/c1-13-10-17(21-30-13)20-18(25)12-23(9-8-22-6-2-3-7-22)31(28,29)14-4-5-15(19)16(11-14)24(26)27/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,20,21,25)