1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C21H25N5O4S2/c1-3-13-4-5-16-18(10-13)31-21(23-16)24-20(28)14-6-8-26(9-7-14)32(29,30)15-11-17(19(22)27)25(2)12-15/h4-5,10-12,14H,3,6-9H2,1-2H3,(H2,22,27)(H,23,24,28)