N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-1-mesyl-isonipecotamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O4S2/c1-28(24,25)22-10-8-13(9-11-22)18(23)20-12-14-6-7-16(26-14)19-21-15-4-2-3-5-17(15)27-19/h2-7,13H,8-12H2,1H3,(H,20,23)