2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-nitrophenyl)propanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-nitrophenyl)propanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)propanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)propanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(3-nitrophenyl)propionamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)C

InChI

InChI=1S/C18H21N3O5S/c1-12-8-9-16(10-13(12)2)20(27(4,25)26)14(3)18(22)19-15-6-5-7-17(11-15)21(23)24/h5-11,14H,1-4H3,(H,19,22)