2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(1-methyl-4-imidazolyl)sulfonyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O3S/c1-22-15-19(21-16-22)28(26,27)24-11-5-10-23(12-13-24)14-18(25)20-9-8-17-6-3-2-4-7-17/h2-4,6-7,15-16H,5,8-14H2,1H3,(H,20,25)