(2S)-N-[2-(dimethylaminomethyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-[2-(dimethylaminomethyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-[2-(dimethylaminomethyl)phenyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[2-(dimethylaminomethyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-[2-(dimethylaminomethyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-[2-(dimethylaminomethyl)phenyl]-3-methyl-2-(tosylamino)butyramide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=CC=CC=C2CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC=CC=C2CN(C)C

InChI

InChI=1S/C21H29N3O3S/c1-15(2)20(23-28(26,27)18-12-10-16(3)11-13-18)21(25)22-19-9-7-6-8-17(19)14-24(4)5/h6-13,15,20,23H,14H2,1-5H3,(H,22,25)/t20-/m0/s1