N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(propan-2-ylcarbamoylamino)benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(propan-2-ylcarbamoylamino)benzamide Openeye Name: 2-(isopropylcarbamoylamino)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-[[oxo-(propan-2-ylamino)methyl]amino]benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(propan-2-ylcarbamoylamino)benzamide Traditional Name: 2-(isopropylcarbamoylamino)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O6S/c1-13(2)23-20(27)24-16-7-5-4-6-15(16)19(26)22-11-10-21-17-9-8-14(32(3,30)31)12-18(17)25(28)29/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,26)(H2,23,24,27)