N-[(2-chlorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O4S2/c22-17-7-3-2-6-15(17)13-23-20(26)14-30-21-24-18-12-16(8-9-19(18)29-21)31(27,28)25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,23,26)