[1-naphthalen-2-ylsulfonyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol

Systemtic Name: [1-naphthalen-2-ylsulfonyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol Openeye Name: [1-(2-naphthylsulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol CAS Name: [1-(2-naphthalenylsulfonyl)-4-(phenoxymethyl)-3-pyrrolidinyl]methanethiol IUPAC Name: [1-naphthalen-2-ylsulfonyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol Traditional Name: [1-(2-naphthylsulfonyl)-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CS)COC4=CC=CC=C4

Isomeric SMILES

C1C(C(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CS)COC4=CC=CC=C4

InChI

InChI=1S/C22H23NO3S2/c24-28(25,22-11-10-17-6-4-5-7-18(17)12-22)23-13-19(20(14-23)16-27)15-26-21-8-2-1-3-9-21/h1-12,19-20,27H,13-16H2