3-[2-(4-sulfosulfanylbutanoylamino)ethyl]-1H-indole

Systemtic Name: 3-[2-(4-sulfosulfanylbutanoylamino)ethyl]-1H-indole Openeye Name: 3-[2-(4-sulfosulfanylbutanoylamino)ethyl]-1H-indole CAS Name: 3-[2-[[1-oxo-4-(sulfothio)butyl]amino]ethyl]-1H-indole IUPAC Name: 3-[2-(4-sulfosulfanylbutanoylamino)ethyl]-1H-indole Traditional Name: 3-[2-[4-(sulfothio)butanoylamino]ethyl]-1H-indole Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCSS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCSS(=O)(=O)O

InChI

InChI=1S/C14H18N2O4S2/c17-14(6-3-9-21-22(18,19)20)15-8-7-11-10-16-13-5-2-1-4-12(11)13/h1-2,4-5,10,16H,3,6-9H2,(H,15,17)(H,18,19,20)