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

Systemtic Name: N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(2-oxolanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-1-(2-thienylsulfonyl)nipecotamide 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)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

InChI

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