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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione Openeye Name: 5-(azepan-1-ylsulfonyl)-1-[(4-phenylpiperazin-1-yl)methyl]indoline-2,3-dione CAS Name: 5-(1-azepanylsulfonyl)-1-[(4-phenyl-1-piperazinyl)methyl]indole-2,3-dione IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione Traditional Name: 5-(azepan-1-ylsulfonyl)-1-[(4-phenylpiperazino)methyl]isatin Formula: C25H30N4O4S MolecularWeight: 482.5951

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c30-24-22-18-21(34(32,33)28-12-6-1-2-7-13-28)10-11-23(22)29(25(24)31)19-26-14-16-27(17-15-26)20-8-4-3-5-9-20/h3-5,8-11,18H,1-2,6-7,12-17,19H2