6-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 6-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 6-[[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 6-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 6-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 6-[4-(2-methylpiperidino)sulfonylbenzyl]pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C3=O)N=CC=C4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C3=O)N=CC=C4

InChI

InChI=1S/C20H21N3O4S/c1-14-5-2-3-12-23(14)28(26,27)16-9-7-15(8-10-16)13-22-19(24)17-6-4-11-21-18(17)20(22)25/h4,6-11,14H,2-3,5,12-13H2,1H3