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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 5-(azepan-1-ylsulfonyl)-1-[(4-benzylpiperazin-1-yl)methyl]indoline-2,3-dione CAS Name: 5-(1-azepanylsulfonyl)-1-[[4-(phenylmethyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-[(4-benzylpiperazin-1-yl)methyl]indole-2,3-dione Traditional Name: 5-(azepan-1-ylsulfonyl)-1-[(4-benzylpiperazino)methyl]isatin Formula: C26H32N4O4S MolecularWeight: 496.62168

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H32N4O4S/c31-25-23-18-22(35(33,34)29-12-6-1-2-7-13-29)10-11-24(23)30(26(25)32)20-28-16-14-27(15-17-28)19-21-8-4-3-5-9-21/h3-5,8-11,18H,1-2,6-7,12-17,19-20H2