[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-benzyl-4-methyl-thiazol-5-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[4-methyl-2-(phenylmethyl)-5-thiazolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-benzyl-4-methyl-thiazol-5-yl)methanone Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H30N4O3S2/c1-18-21(30-20(23-18)17-19-9-5-4-6-10-19)22(27)24-13-15-26(16-14-24)31(28,29)25-11-7-2-3-8-12-25/h4-6,9-10H,2-3,7-8,11-17H2,1H3