N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(3-mesylphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O5S3/c1-14-5-3-8-18-19(14)22-21(30-18)23-20(25)15-9-11-24(12-10-15)32(28,29)17-7-4-6-16(13-17)31(2,26)27/h3-8,13,15H,9-12H2,1-2H3,(H,22,23,25)