2-[4-[(2-methyl-1-oxidanylsulfonothioyloxy-propan-2-yl)amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2-methyl-1-oxidanylsulfonothioyloxy-propan-2-yl)amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(2-hydroxysulfonothioyloxy-1,1-dimethyl-ethyl)amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-hydroxysulfonothioyloxy-2-methylpropan-2-yl)amino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(1-hydroxysulfonothioyloxy-2-methylpropan-2-yl)amino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2-hydroxysulfonothioyloxy-1,1-dimethyl-ethyl)amino]butyl]isoindoline-1,3-quinone Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COS(=O)(=S)O)NCCCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(COS(=O)(=S)O)NCCCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H22N2O5S2/c1-16(2,11-23-25(21,22)24)17-9-5-6-10-18-14(19)12-7-3-4-8-13(12)15(18)20/h3-4,7-8,17H,5-6,9-11H2,1-2H3,(H,21,22,24)