N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C26H27N3O3S3 MolecularWeight: 525.70588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H27N3O3S3/c1-2-20-10-6-11-22-24(20)27-26(34-22)29(18-19-8-4-3-5-9-19)25(30)21-13-15-28(16-14-21)35(31,32)23-12-7-17-33-23/h3-12,17,21H,2,13-16,18H2,1H3