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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C)C

InChI

InChI=1S/C21H25N5O4S2/c1-12-8-13(2)18-17(9-12)31-21(23-18)24-20(28)14-4-6-26(7-5-14)32(29,30)15-10-16(19(22)27)25(3)11-15/h8-11,14H,4-7H2,1-3H3,(H2,22,27)(H,23,24,28)