1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[3-(phenylmethyl)-1,3-thiazol-2-ylidene]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[3-(phenylmethyl)-1,3-thiazol-2-ylidene]piperidine-4-carboxamide Openeye Name: N-(3-benzylthiazol-2-ylidene)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[3-(phenylmethyl)-2-thiazolylidene]-4-piperidinecarboxamide IUPAC Name: N-(3-benzyl-1,3-thiazol-2-ylidene)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-benzyl-4-thiazolin-2-ylidene)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N=C3N(C=CS3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N=C3N(C=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O4S2/c1-25-15-18(13-19(25)20(23)28)33(30,31)27-9-7-17(8-10-27)21(29)24-22-26(11-12-32-22)14-16-5-3-2-4-6-16/h2-6,11-13,15,17H,7-10,14H2,1H3,(H2,23,28)