1-naphthalen-2-ylsulfonyl-5-(phenoxymethyl)pyrrolidine-3-thiol

Systemtic Name: 1-naphthalen-2-ylsulfonyl-5-(phenoxymethyl)pyrrolidine-3-thiol Openeye Name: 1-(2-naphthylsulfonyl)-5-(phenoxymethyl)pyrrolidine-3-thiol CAS Name: 1-(2-naphthalenylsulfonyl)-5-(phenoxymethyl)-3-pyrrolidinethiol IUPAC Name: 1-naphthalen-2-ylsulfonyl-5-(phenoxymethyl)pyrrolidine-3-thiol Traditional Name: 1-(2-naphthylsulfonyl)-5-(phenoxymethyl)pyrrolidine-3-thiol Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1COC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C21H21NO3S2/c23-27(24,21-11-10-16-6-4-5-7-17(16)12-21)22-14-20(26)13-18(22)15-25-19-8-2-1-3-9-19/h1-12,18,20,26H,13-15H2