N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-tosyl-1,4-diazepane-1-carboxamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCCC3=CN4C=CC=CC4=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C22H27N5O3S/c1-18-6-8-20(9-7-18)31(29,30)27-14-4-13-25(15-16-27)22(28)23-11-10-19-17-26-12-3-2-5-21(26)24-19/h2-3,5-9,12,17H,4,10-11,13-16H2,1H3,(H,23,28)