4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(1R)-1-phenylethyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(1R)-1-phenylethyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[(1R)-1-phenylethyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-[(1R)-1-phenylethyl]butyramide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)N[C@H](C)C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S/c1-16-12-13-17(2)20(15-16)23(27(4,25)26)14-8-11-21(24)22-18(3)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,18H,8,11,14H2,1-4H3,(H,22,24)/t18-/m1/s1