N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C24H22ClN3O3S3 MolecularWeight: 532.09778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H22ClN3O3S3/c25-18-11-12-19-21(15-18)33-24(26-19)27(16-17-7-2-1-3-8-17)23(29)20-9-4-5-13-28(20)34(30,31)22-10-6-14-32-22/h1-3,6-8,10-12,14-15,20H,4-5,9,13,16H2