N-[(4-ethoxyphenyl)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-aniline

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-aniline Openeye Name: N-[(4-ethoxyphenyl)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-aniline CAS Name: N-[(4-ethoxyphenyl)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylsulfonylaniline IUPAC Name: N-[(4-ethoxyphenyl)methyl]-N-(1H-imidazol-5-ylmethyl)-4-methylsulfonylaniline Traditional Name: (4-ethoxybenzyl)-(1H-imidazol-5-ylmethyl)-(4-mesylphenyl)amine Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2=CN=CN2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2=CN=CN2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S/c1-3-26-19-8-4-16(5-9-19)13-23(14-17-12-21-15-22-17)18-6-10-20(11-7-18)27(2,24)25/h4-12,15H,3,13-14H2,1-2H3,(H,21,22)