1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone Openeye Name: 2-(2-isopropylthiazol-4-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-propan-2-yl-4-thiazolyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone Traditional Name: 2-(2-isopropylthiazol-4-yl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CSC(=N3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CSC(=N3)C(C)C

InChI

InChI=1S/C20H27N3O3S2/c1-15(2)20-21-17(14-27-20)13-19(24)22-9-4-10-23(12-11-22)28(25,26)18-7-5-16(3)6-8-18/h5-8,14-15H,4,9-13H2,1-3H3