4-[[[(2S)-6-methylheptan-2-yl]amino]methylidene]-2-(4-morpholin-4-ylsulfonylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[[(2S)-6-methylheptan-2-yl]amino]methylidene]-2-(4-morpholin-4-ylsulfonylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[[[(1S)-1,5-dimethylhexyl]amino]methylene]-2-(4-morpholinosulfonylphenyl)isoquinoline-1,3-dione CAS Name: 4-[[[(2S)-6-methylheptan-2-yl]amino]methylidene]-2-[4-(4-morpholinylsulfonyl)phenyl]isoquinoline-1,3-dione IUPAC Name: 4-[[[(2S)-6-methylheptan-2-yl]amino]methylidene]-2-(4-morpholin-4-ylsulfonylphenyl)isoquinoline-1,3-dione Traditional Name: 4-[[[(1S)-1,5-dimethylhexyl]amino]methylene]-2-(4-morpholinosulfonylphenyl)isoquinoline-1,3-quinone Formula: C28H35N3O5S MolecularWeight: 525.6596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[C@@H](CCCC(C)C)NC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C28H35N3O5S/c1-20(2)7-6-8-21(3)29-19-26-24-9-4-5-10-25(24)27(32)31(28(26)33)22-11-13-23(14-12-22)37(34,35)30-15-17-36-18-16-30/h4-5,9-14,19-21,29H,6-8,15-18H2,1-3H3/t21-/m0/s1