N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-oxolanylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H25N3O4S3/c26-21(18-9-3-4-12-25(18)32(27,28)20-11-6-14-30-20)24(15-16-7-5-13-29-16)22-23-17-8-1-2-10-19(17)31-22/h1-2,6,8,10-11,14,16,18H,3-5,7,9,12-13,15H2