5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[(2-methylolpyrrolidino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N)CO

Isomeric SMILES

C1CC(N(C1)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N)CO

InChI

InChI=1S/C21H23N3O2S/c22-21(26)19-20(27-16-6-2-1-3-7-16)17-11-14(8-9-18(17)23-19)12-24-10-4-5-15(24)13-25/h1-3,6-9,11,15,23,25H,4-5,10,12-13H2,(H2,22,26)