N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide

Systemtic Name: N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide Openeye Name: 2-[benzyl(p-tolylsulfonyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide CAS Name: N-[[2-(1-imidazolyl)phenyl]methyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]benzamide IUPAC Name: 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide Traditional Name: 2-[benzyl(tosyl)amino]-N-(2-imidazol-1-ylbenzyl)benzamide Formula: C31H28N4O3S MolecularWeight: 536.64402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCC4=CC=CC=C4N5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)NCC4=CC=CC=C4N5C=CN=C5

InChI

InChI=1S/C31H28N4O3S/c1-24-15-17-27(18-16-24)39(37,38)35(22-25-9-3-2-4-10-25)30-14-8-6-12-28(30)31(36)33-21-26-11-5-7-13-29(26)34-20-19-32-23-34/h2-20,23H,21-22H2,1H3,(H,33,36)