N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(4-chlorophenyl)sulfonyl-5-methoxy-phenyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C19H17ClN4O6S MolecularWeight: 464.87948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O6S/c1-30-16-8-14(22-19(25)6-7-23-12-15(11-21-23)24(26)27)9-18(10-16)31(28,29)17-4-2-13(20)3-5-17/h2-5,8-12H,6-7H2,1H3,(H,22,25)