2-methyl-N-[2-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]ethyl]propanamide

Systemtic Name: 2-methyl-N-[2-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]ethyl]propanamide Openeye Name: 2-methyl-N-[2-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]ethyl]propanamide CAS Name: 2-methyl-N-[2-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]ethyl]propanamide IUPAC Name: 2-methyl-N-[2-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]ethyl]propanamide Traditional Name: 2-methyl-N-[2-[3-(N-tosylanilino)propanoylamino]ethyl]propionamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCNC(=O)C(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCCNC(=O)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H29N3O4S/c1-17(2)22(27)24-15-14-23-21(26)13-16-25(19-7-5-4-6-8-19)30(28,29)20-11-9-18(3)10-12-20/h4-12,17H,13-16H2,1-3H3,(H,23,26)(H,24,27)