disodium 2-[2-ethyl-1-(phenylmethyl)-5-(3-phosphonatopropylsulfanyl)indol-3-yl]ethanamide

Systemtic Name: disodium 2-[2-ethyl-1-(phenylmethyl)-5-(3-phosphonatopropylsulfanyl)indol-3-yl]ethanamide Openeye Name: disodium 2-[1-benzyl-2-ethyl-5-(3-phosphonatopropylsulfanyl)indol-3-yl]acetamide CAS Name: disodium 2-[2-ethyl-1-(phenylmethyl)-5-(3-phosphonatopropylthio)-3-indolyl]acetamide IUPAC Name: disodium 2-[1-benzyl-2-ethyl-5-(3-phosphonatopropylsulfanyl)indol-3-yl]acetamide Traditional Name: disodium 2-[1-benzyl-2-ethyl-5-(3-phosphonatopropylthio)indol-3-yl]acetamide Formula: C22H25N2Na2O4PS MolecularWeight: 490.463201

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCP(=O)([O-])[O-])CC(=O)N.[Na+].[Na+]

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCP(=O)([O-])[O-])CC(=O)N.[Na+].[Na+]

InChI

InChI=1S/C22H27N2O4PS.2Na/c1-2-20-19(14-22(23)25)18-13-17(30-12-6-11-29(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16;;/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28);;/q;2*+1/p-2