3-(4-methylphenyl)sulfonyl-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide Openeye Name: N-[2-(2-nitroanilino)ethyl]-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]propanamide Traditional Name: N-[2-(2-nitroanilino)ethyl]-3-tosyl-propionamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-14-6-8-15(9-7-14)27(25,26)13-10-18(22)20-12-11-19-16-4-2-3-5-17(16)21(23)24/h2-9,19H,10-13H2,1H3,(H,20,22)