N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1H-indol-3-ylthio)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(1H-indol-3-ylsulfanyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(1H-indol-3-ylthio)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCSC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S2/c25-21(22-11-14-28-20-15-23-19-6-2-1-5-18(19)20)16-7-9-17(10-8-16)29(26,27)24-12-3-4-13-24/h1-2,5-10,15,23H,3-4,11-14H2,(H,22,25)