3-acetamido-3-(4-chlorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-acetamido-3-(4-chlorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-acetamido-3-(4-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-acetamido-3-(4-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-acetamido-3-(4-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-acetamido-3-(4-chlorophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C20H23ClN4O6S MolecularWeight: 482.93782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H23ClN4O6S/c1-13(26)24-18(14-3-5-15(21)6-4-14)12-20(27)23-10-9-22-17-8-7-16(32(2,30)31)11-19(17)25(28)29/h3-8,11,18,22H,9-10,12H2,1-2H3,(H,23,27)(H,24,26)