5-(azepan-1-ylsulfonyl)-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione Openeye Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 5-(1-azepanylsulfonyl)-1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione Traditional Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(2-pyridyl)piperazino]methyl]isatin Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C24H29N5O4S/c30-23-20-17-19(34(32,33)28-11-5-1-2-6-12-28)8-9-21(20)29(24(23)31)18-26-13-15-27(16-14-26)22-7-3-4-10-25-22/h3-4,7-10,17H,1-2,5-6,11-16,18H2