N-(2,4-dimethyl-5-nitro-phenyl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(2,4-dimethyl-5-nitro-phenyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2,4-dimethyl-5-nitro-phenyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(2,4-dimethyl-5-nitrophenyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(2,4-dimethyl-5-nitrophenyl)propanamide Traditional Name: 3-besyl-N-(2,4-dimethyl-5-nitro-phenyl)propionamide Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O5S/c1-12-10-13(2)16(19(21)22)11-15(12)18-17(20)8-9-25(23,24)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)