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

Systemtic Name: N-[4-(4-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(4-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(4-methoxy-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(4-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=C2C(=CC=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

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