N,N-dimethyl-3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]benzenesulfonamide Formula: C21H25N3O5S3 MolecularWeight: 495.6353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S3/c1-23(2)31(25,26)17-8-6-7-16(13-17)15-30-21-22-19-14-18(9-10-20(19)29-21)32(27,28)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3