3-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-1-oxidanyl-pyrrolo[2,3-c]pyridine-7-carboximidamide

Systemtic Name: 3-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-1-oxidanyl-pyrrolo[2,3-c]pyridine-7-carboximidamide Openeye Name: 3-(4-benzoyl-2-methyl-piperazin-1-yl)sulfonyl-1-hydroxy-pyrrolo[2,3-c]pyridine-7-carboxamidine CAS Name: 3-[(4-benzoyl-2-methyl-1-piperazinyl)sulfonyl]-1-hydroxy-7-pyrrolo[2,3-c]pyridinecarboximidamide IUPAC Name: 3-(4-benzoyl-2-methylpiperazin-1-yl)sulfonyl-1-hydroxypyrrolo[2,3-c]pyridine-7-carboximidamide Traditional Name: 3-(4-benzoyl-2-methyl-piperazino)sulfonyl-1-hydroxy-pyrrolo[2,3-c]pyridine-7-carboxamidine Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CN(C3=C2C=CN=C3C(=N)N)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CN(C3=C2C=CN=C3C(=N)N)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O4S/c1-13-11-24(20(27)14-5-3-2-4-6-14)9-10-26(13)31(29,30)16-12-25(28)18-15(16)7-8-23-17(18)19(21)22/h2-8,12-13,28H,9-11H2,1H3,(H3,21,22)