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

Systemtic Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[[4-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(esyl)amino]-N-(4-imidazol-1-ylbenzyl)acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2C=CN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2C=CN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O5S/c1-2-31(27,28)25(18-7-8-19-20(11-18)30-15-29-19)13-21(26)23-12-16-3-5-17(6-4-16)24-10-9-22-14-24/h3-11,14H,2,12-13,15H2,1H3,(H,23,26)