4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-12-9-16(21(23)24)10-17(13(12)2)27(25,26)20(4)11-14-5-7-15(8-6-14)18(22)19-3/h5-10H,11H2,1-4H3,(H,19,22)