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

Systemtic Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-morpholin-4-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-morpholinosulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-1-(4-morpholinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-1-morpholinosulfonyl-isonipecotamide Formula: C21H29N5O5S2 MolecularWeight: 495.61546

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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)N4CCOCC4

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H29N5O5S2/c1-14(2)19(27)24-21-23-17-13-16(3-4-18(17)32-21)22-20(28)15-5-7-25(8-6-15)33(29,30)26-9-11-31-12-10-26/h3-4,13-15H,5-12H2,1-2H3,(H,22,28)(H,23,24,27)