N-[2-[methyl(phenyl)amino]propyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[2-[methyl(phenyl)amino]propyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[2-(N-methylanilino)propyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[2-(N-methylanilino)propyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[2-(N-methylanilino)propyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[2-(N-methylanilino)propyl]-4-(methylthio)-2-(tosylamino)butyramide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC(C)N(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC(C)N(C)C2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3S2/c1-17-10-12-20(13-11-17)30(27,28)24-21(14-15-29-4)22(26)23-16-18(2)25(3)19-8-6-5-7-9-19/h5-13,18,21,24H,14-16H2,1-4H3,(H,23,26)