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

Systemtic Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-1-(1-pyrrolidinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-1-pyrrolidinosulfonyl-isonipecotamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O4S2/c1-14(2)19(27)24-21-23-17-13-16(5-6-18(17)31-21)22-20(28)15-7-11-26(12-8-15)32(29,30)25-9-3-4-10-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,22,28)(H,23,24,27)