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

Systemtic Name: 2-[1-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[3-methoxy-4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3-methoxy-4-pyrrolidinosulfonyl-phenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C23H27N3O5S3 MolecularWeight: 521.67258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H27N3O5S3/c1-31-20-16-18(8-9-22(20)34(29,30)25-12-4-5-13-25)33(27,28)26-14-10-17(11-15-26)23-24-19-6-2-3-7-21(19)32-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3