N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C24H23N3O4S3 MolecularWeight: 513.65212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H23N3O4S3/c1-31-19-8-9-20-21(15-19)33-24(26-20)17-4-6-18(7-5-17)25-23(28)16-10-12-27(13-11-16)34(29,30)22-3-2-14-32-22/h2-9,14-16H,10-13H2,1H3,(H,25,28)