N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-methylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: 1-mesyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pipecolinamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCCN4S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCCN4S(=O)(=O)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-6-11-17-19(13-14)28-21(23-17)15-7-9-16(10-8-15)22-20(25)18-5-3-4-12-24(18)29(2,26)27/h6-11,13,18H,3-5,12H2,1-2H3,(H,22,25)