N-ethylethanamine; 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole

Systemtic Name: N-ethylethanamine; 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole Openeye Name: N-ethylethanamine; 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole CAS Name: N-ethylethanamine; 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole IUPAC Name: N-ethylethanamine; 5-methyl-2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole Traditional Name: diethylamine; 2-(4-mesylphenyl)-5-methyl-3-phenyl-1H-pyrrole Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCNCC.CC1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S.C4H11N/c1-13-12-17(14-6-4-3-5-7-14)18(19-13)15-8-10-16(11-9-15)22(2,20)21;1-3-5-4-2/h3-12,19H,1-2H3;5H,3-4H2,1-2H3