4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[2-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(2-imidazol-1-ylbenzyl)butyramide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCC1=CC=CC=C1N2C=CN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCC1=CC=CC=C1N2C=CN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N4O5S/c1-32(28,29)26(18-8-9-20-21(13-18)31-16-30-20)11-4-7-22(27)24-14-17-5-2-3-6-19(17)25-12-10-23-15-25/h2-3,5-6,8-10,12-13,15H,4,7,11,14,16H2,1H3,(H,24,27)