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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC1=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/C20H23N5O4S2/c1-12-3-4-15-17(9-12)30-20(22-15)23-19(27)13-5-7-25(8-6-13)31(28,29)14-10-16(18(21)26)24(2)11-14/h3-4,9-11,13H,5-8H2,1-2H3,(H2,21,26)(H,22,23,27)