2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[4-(4-methoxyphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide Formula: C22H31N5O4S2 MolecularWeight: 493.64264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N5O4S2/c1-31-19-8-6-18(7-9-19)20-17-32-22(23-20)24-21(28)16-25-12-14-27(15-13-25)33(29,30)26-10-4-2-3-5-11-26/h6-9,17H,2-5,10-16H2,1H3,(H,23,24,28)