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

Systemtic Name: 3-(2-hydroxyphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(2-hydroxyphenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(2-hydroxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(2-hydroxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(2-hydroxyphenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CC=CC=C2O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CC=CC=C2O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-28(26,27)14-7-8-15(16(12-14)21(24)25)19-10-11-20-18(23)9-6-13-4-2-3-5-17(13)22/h2-5,7-8,12,19,22H,6,9-11H2,1H3,(H,20,23)