5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[[4-(hydroxymethyl)-1-piperidyl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[(4-methylolpiperidino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CN(CCC1CO)CC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H25N3O2S/c23-22(27)20-21(28-17-4-2-1-3-5-17)18-12-16(6-7-19(18)24-20)13-25-10-8-15(14-26)9-11-25/h1-7,12,15,24,26H,8-11,13-14H2,(H2,23,27)