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

Systemtic Name: 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]benzamide Openeye Name: 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]benzamide CAS Name: 4-[[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]methyl]benzamide IUPAC Name: 4-[[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]methyl]benzamide Traditional Name: 4-[[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]methyl]benzamide Formula: C17H19N3O5S MolecularWeight: 377.41486

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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)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-11-8-15(20(22)23)9-16(12(11)2)26(24,25)19(3)10-13-4-6-14(7-5-13)17(18)21/h4-9H,10H2,1-3H3,(H2,18,21)