4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(p-tolylmethylsulfanyl)ethyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylthio]ethyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[2-[(4-methylbenzyl)thio]ethyl]butyramide Formula: C23H32N2O3S2 MolecularWeight: 448.64178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C23H32N2O3S2/c1-18-8-11-21(12-9-18)17-29-15-13-24-23(26)6-5-14-25(30(4,27)28)22-16-19(2)7-10-20(22)3/h7-12,16H,5-6,13-15,17H2,1-4H3,(H,24,26)