2-[1-(2,5-diethoxy-4-piperidin-1-ylsulfonyl-phenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(2,5-diethoxy-4-piperidin-1-ylsulfonyl-phenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[2,5-diethoxy-4-(1-piperidylsulfonyl)phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[2,5-diethoxy-4-(1-piperidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(2,5-diethoxy-4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(2,5-diethoxy-4-piperidinosulfonyl-phenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C27H35N3O6S3 MolecularWeight: 593.7783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CCOC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H35N3O6S3/c1-3-35-22-19-26(23(36-4-2)18-25(22)38(31,32)29-14-8-5-9-15-29)39(33,34)30-16-12-20(13-17-30)27-28-21-10-6-7-11-24(21)37-27/h6-7,10-11,18-20H,3-5,8-9,12-17H2,1-2H3