1-[4-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

Systemtic Name: 1-[4-[4-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone Openeye Name: 1-[4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-2-(4-methylthiazol-2-yl)ethanone CAS Name: 1-[4-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-2-(4-methyl-2-thiazolyl)ethanone IUPAC Name: 1-[4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone Traditional Name: 1-[4-[4-(azepan-1-ylsulfonyl)benzoyl]piperazino]-2-(4-methylthiazol-2-yl)ethanone Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H30N4O4S2/c1-18-17-32-21(24-18)16-22(28)25-12-14-26(15-13-25)23(29)19-6-8-20(9-7-19)33(30,31)27-10-4-2-3-5-11-27/h6-9,17H,2-5,10-16H2,1H3