N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5)C(=O)N2C1

InChI

InChI=1S/C21H22N4O4S2/c26-20(14-7-10-24(11-8-14)31(28,29)19-4-2-12-30-19)22-15-5-6-17-16(13-15)21(27)25-9-1-3-18(25)23-17/h2,4-6,12-14H,1,3,7-11H2,(H,22,26)