N-methylethanamine; 1-methyl-4-(4-methylphenyl)sulfonyl-benzene

Systemtic Name: N-methylethanamine; 1-methyl-4-(4-methylphenyl)sulfonyl-benzene Openeye Name: N-methylethanamine; 1-methyl-4-(p-tolylsulfonyl)benzene CAS Name: N-methylethanamine; 1-methyl-4-(4-methylphenyl)sulfonylbenzene IUPAC Name: N-methylethanamine; 1-methyl-4-(4-methylphenyl)sulfonylbenzene Traditional Name: ethyl(methyl)amine; 1-methyl-4-tosyl-benzene Formula: C31H37NO4S2 MolecularWeight: 551.75978

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Descriptors Computed from Structure

Canonical SMILES:

CCNC.CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C.CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCNC.CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C.CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/2C14H14O2S.C3H9N/c2*1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-3-4-2/h2*3-10H,1-2H3;4H,3H2,1-2H3