4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C23H27ClN4O5S MolecularWeight: 507.00228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C23H27ClN4O5S/c1-16-22(23(30)28(26(16)2)17-9-6-5-7-10-17)25-21(29)11-8-14-27(34(4,31)32)18-12-13-20(33-3)19(24)15-18/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,25,29)