2-[2-[4-(1H-indol-3-yl)piperidin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(1H-indol-3-yl)piperidin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(1H-indol-3-yl)-1-piperidinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(1H-indol-3-yl)piperidine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O2S/c30-25(28-13-5-6-14-28)18-32-24-10-4-2-8-21(24)26(31)29-15-11-19(12-16-29)22-17-27-23-9-3-1-7-20(22)23/h1-4,7-10,17,19,27H,5-6,11-16,18H2