1-(4-methylphenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]-1-(p-tolyl)ethanone Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N2O4S2/c1-15-5-7-16(8-6-15)19(24)14-28-21-22-18-13-17(9-10-20(18)27-21)29(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3