2-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(3-methoxypropyl)benzamide

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 2-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-N-(3-methoxypropyl)benzamide CAS Name: 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 2-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-[2-(N-mesyl-2,5-dimethyl-anilino)propanoylamino]-N-(3-methoxypropyl)benzamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCCCOC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=CC=C2C(=O)NCCCOC)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O5S/c1-16-11-12-17(2)21(15-16)26(32(5,29)30)18(3)22(27)25-20-10-7-6-9-19(20)23(28)24-13-8-14-31-4/h6-7,9-12,15,18H,8,13-14H2,1-5H3,(H,24,28)(H,25,27)