4-[(4-azanyl-2-methylsulfonyl-phenyl)methylsulfanylmethyl]-3-methylsulfonyl-aniline

Systemtic Name: 4-[(4-azanyl-2-methylsulfonyl-phenyl)methylsulfanylmethyl]-3-methylsulfonyl-aniline Openeye Name: 4-[(4-amino-2-methylsulfonyl-phenyl)methylsulfanylmethyl]-3-methylsulfonyl-aniline CAS Name: 4-[[(4-amino-2-methylsulfonylphenyl)methylthio]methyl]-3-methylsulfonylaniline IUPAC Name: 4-[(4-amino-2-methylsulfonylphenyl)methylsulfanylmethyl]-3-methylsulfonylaniline Traditional Name: [4-[[(4-amino-2-mesyl-benzyl)thio]methyl]-3-mesyl-phenyl]amine Formula: C16H20N2O4S3 MolecularWeight: 400.536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)N)CSCC2=C(C=C(C=C2)N)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)N)CSCC2=C(C=C(C=C2)N)S(=O)(=O)C

InChI

InChI=1S/C16H20N2O4S3/c1-24(19,20)15-7-13(17)5-3-11(15)9-23-10-12-4-6-14(18)8-16(12)25(2,21)22/h3-8H,9-10,17-18H2,1-2H3