N-[(4-imidazol-1-ylphenyl)methyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Openeye Name: 4-[allyl(methylsulfonyl)amino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Traditional Name: 4-[allyl(mesyl)amino]-N-(4-imidazol-1-ylbenzyl)benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C21H22N4O3S/c1-3-13-25(29(2,27)28)20-10-6-18(7-11-20)21(26)23-15-17-4-8-19(9-5-17)24-14-12-22-16-24/h3-12,14,16H,1,13,15H2,2H3,(H,23,26)