1-(2,3-dihydro-1-benzofuran-4-ylsulfonyl)-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-4-ylsulfonyl)-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine Openeye Name: 1-(2,3-dihydrobenzofuran-4-ylsulfonyl)-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine CAS Name: 1-(2,3-dihydrobenzofuran-4-ylsulfonyl)-3-[(3S)-3-methyl-1-piperazinyl]pyrrolo[3,2-b]pyridine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-4-ylsulfonyl)-3-[(3S)-3-methylpiperazin-1-yl]pyrrolo[3,2-b]pyridine Traditional Name: 1-coumaran-4-ylsulfonyl-3-[(3S)-3-methylpiperazino]pyrrolo[3,2-b]pyridine Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4CCO5

Isomeric SMILES

C[C@H]1CN(CCN1)C2=CN(C3=C2N=CC=C3)S(=O)(=O)C4=CC=CC5=C4CCO5

InChI

InChI=1S/C20H22N4O3S/c1-14-12-23(10-9-21-14)17-13-24(16-4-3-8-22-20(16)17)28(25,26)19-6-2-5-18-15(19)7-11-27-18/h2-6,8,13-14,21H,7,9-12H2,1H3/t14-/m0/s1