N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S3/c1-12-5-2-7-14-16(12)19-18(26-14)20-17(22)13-6-3-9-21(11-13)27(23,24)15-8-4-10-25-15/h2,4-5,7-8,10,13H,3,6,9,11H2,1H3,(H,19,20,22)