N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-oxolanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C25H31N3O4S3 MolecularWeight: 533.72634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H31N3O4S3/c1-17(2)20-7-3-8-21-23(20)26-25(34-21)28(16-19-6-4-14-32-19)24(29)18-10-12-27(13-11-18)35(30,31)22-9-5-15-33-22/h3,5,7-9,15,17-19H,4,6,10-14,16H2,1-2H3