2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-imidazolyl]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]-N-(4-methylbenzyl)acetamide Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O3S/c1-16-6-8-17(9-7-16)12-20-18(24)13-22-14-19(21-15-22)27(25,26)23-10-4-2-3-5-11-23/h6-9,14-15H,2-5,10-13H2,1H3,(H,20,24)