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

Systemtic Name: N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(2-oxolanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-1-(2-thienylsulfonyl)pipecolinamide 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)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H31N3O4S3/c1-17(2)19-9-5-11-21-23(19)26-25(34-21)27(16-18-8-6-14-32-18)24(29)20-10-3-4-13-28(20)35(30,31)22-12-7-15-33-22/h5,7,9,11-12,15,17-18,20H,3-4,6,8,10,13-14,16H2,1-2H3