(2S)-2-[(4-chlorophenyl)sulfonyl-[(4-dimethylaminophenyl)methyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[(4-chlorophenyl)sulfonyl-[(4-dimethylaminophenyl)methyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-2-[(4-chlorophenyl)sulfonyl-[(4-dimethylaminophenyl)methyl]amino]-4-methyl-pentanamide CAS Name: (2S)-2-[(4-chlorophenyl)sulfonyl-[(4-dimethylaminophenyl)methyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[(4-chlorophenyl)sulfonyl-[(4-dimethylaminophenyl)methyl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonyl-[4-(dimethylamino)benzyl]amino]-4-methyl-valeramide Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N(CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O3S/c1-15(2)13-20(21(23)26)25(14-16-5-9-18(10-6-16)24(3)4)29(27,28)19-11-7-17(22)8-12-19/h5-12,15,20H,13-14H2,1-4H3,(H2,23,26)/t20-/m0/s1