4-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[1-(4-mesylphenyl)ethyl-methyl-amino]methyl]-3-nitro-benzamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-12(13-6-8-16(9-7-13)27(3,25)26)20(2)11-15-5-4-14(18(19)22)10-17(15)21(23)24/h4-10,12H,11H2,1-3H3,(H2,19,22)