2-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-3-methyl-butyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-3-methyl-butyl]isoindoline-1,3-quinone Formula: C24H34N4O5S MolecularWeight: 490.61556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H34N4O5S/c1-18(2)17-21(28-22(29)19-9-5-6-10-20(19)23(28)30)24(31)25-13-15-27(16-14-25)34(32,33)26-11-7-3-4-8-12-26/h5-6,9-10,18,21H,3-4,7-8,11-17H2,1-2H3