N-[4-(diphenylmethyl)-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-1-propanoyl-piperazin-2-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[4-(diphenylmethyl)-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-1-propanoyl-piperazin-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[4-benzhydryl-3-[(3-diisopropoxyphosphoryl-2-pyridyl)sulfanyl]-1-propanoyl-piperazin-2-yl]-1H-indole-2-carboxamide CAS Name: N-[4-(diphenylmethyl)-3-[[3-di(propan-2-yloxy)phosphoryl-2-pyridinyl]thio]-1-(1-oxopropyl)-2-piperazinyl]-1H-indole-2-carboxamide IUPAC Name: N-[4-benzhydryl-3-[3-di(propan-2-yloxy)phosphorylpyridin-2-yl]sulfanyl-1-propanoylpiperazin-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[4-benzhydryl-3-[(3-diisopropoxyphosphoryl-2-pyridyl)thio]-1-propionyl-piperazin-2-yl]-1H-indole-2-carboxamide Formula: C40H46N5O5PS MolecularWeight: 739.862501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)SC4=C(C=CC=N4)P(=O)(OC(C)C)OC(C)C)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(=O)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)SC4=C(C=CC=N4)P(=O)(OC(C)C)OC(C)C)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C40H46N5O5PS/c1-6-35(46)44-24-25-45(36(29-16-9-7-10-17-29)30-18-11-8-12-19-30)40(37(44)43-38(47)33-26-31-20-13-14-21-32(31)42-33)52-39-34(22-15-23-41-39)51(48,49-27(2)3)50-28(4)5/h7-23,26-28,36-37,40,42H,6,24-25H2,1-5H3,(H,43,47)