N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H24N4O4S3 MolecularWeight: 492.63466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O4S3/c1-13(2)19(26)24-21-23-16-12-15(5-6-17(16)31-21)22-20(27)14-7-9-25(10-8-14)32(28,29)18-4-3-11-30-18/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)(H,23,24,26)