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

Systemtic Name: 2-[1-(2,5-diethoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(2,5-diethoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[2,5-diethoxy-4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(2,5-diethoxy-4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(2,5-diethoxy-4-pyrrolidinosulfonyl-phenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C26H33N3O6S3 MolecularWeight: 579.75172

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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)N5CCCC5

Isomeric SMILES

CCOC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H33N3O6S3/c1-3-34-21-18-25(22(35-4-2)17-24(21)37(30,31)28-13-7-8-14-28)38(32,33)29-15-11-19(12-16-29)26-27-20-9-5-6-10-23(20)36-26/h5-6,9-10,17-19H,3-4,7-8,11-16H2,1-2H3