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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N5O4S2/c1-23-11-13(10-15(23)17(20)25)30(27,28)24-8-6-12(7-9-24)18(26)22-19-21-14-4-2-3-5-16(14)29-19/h2-5,10-12H,6-9H2,1H3,(H2,20,25)(H,21,22,26)