2-chloranyl-N-[(3,4-dimethylphenyl)methyl]-5-methylsulfonyl-aniline

Systemtic Name: 2-chloranyl-N-[(3,4-dimethylphenyl)methyl]-5-methylsulfonyl-aniline Openeye Name: 2-chloro-N-[(3,4-dimethylphenyl)methyl]-5-methylsulfonyl-aniline CAS Name: 2-chloro-N-[(3,4-dimethylphenyl)methyl]-5-methylsulfonylaniline IUPAC Name: 2-chloro-N-[(3,4-dimethylphenyl)methyl]-5-methylsulfonylaniline Traditional Name: (2-chloro-5-mesyl-phenyl)-(3,4-dimethylbenzyl)amine Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C16H18ClNO2S/c1-11-4-5-13(8-12(11)2)10-18-16-9-14(21(3,19)20)6-7-15(16)17/h4-9,18H,10H2,1-3H3