N-methyl-3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[(3-nitrophenyl)methyl]propanamide

Systemtic Name: N-methyl-3-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[(3-nitrophenyl)methyl]propanamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-methyl-3-(N-(4-methylphenyl)sulfonylanilino)-N-[(3-nitrophenyl)methyl]propanamide IUPAC Name: N-methyl-3-(N-(4-methylphenyl)sulfonylanilino)-N-[(3-nitrophenyl)methyl]propanamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-3-(N-tosylanilino)propionamide Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N(C)CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N(C)CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O5S/c1-19-11-13-23(14-12-19)33(31,32)26(21-8-4-3-5-9-21)16-15-24(28)25(2)18-20-7-6-10-22(17-20)27(29)30/h3-14,17H,15-16,18H2,1-2H3