1-(cyclopentylmethyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)urea

Systemtic Name: 1-(cyclopentylmethyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)urea Openeye Name: 1-(cyclopentylmethyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)urea CAS Name: 1-(cyclopentylmethyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)urea IUPAC Name: 1-(cyclopentylmethyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)urea Traditional Name: 1-(cyclopentylmethyl)-3-(6-mesyl-1,3-benzothiazol-2-yl)-1-(4-mesylphenyl)urea Formula: C22H25N3O5S3 MolecularWeight: 507.646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N(CC2CCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N(CC2CCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O5S3/c1-32(27,28)17-9-7-16(8-10-17)25(14-15-5-3-4-6-15)22(26)24-21-23-19-12-11-18(33(2,29)30)13-20(19)31-21/h7-13,15H,3-6,14H2,1-2H3,(H,23,24,26)