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

Systemtic Name: [1-naphthalen-2-ylsulfonyl-4-(phenylmethoxymethyl)pyrrolidin-3-yl]methanethiol Openeye Name: [4-(benzyloxymethyl)-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]methanethiol CAS Name: [1-(2-naphthalenylsulfonyl)-4-(phenylmethoxymethyl)-3-pyrrolidinyl]methanethiol IUPAC Name: [1-naphthalen-2-ylsulfonyl-4-(phenylmethoxymethyl)pyrrolidin-3-yl]methanethiol Traditional Name: [4-(benzoxymethyl)-1-(2-naphthylsulfonyl)pyrrolidin-3-yl]methanethiol Formula: C23H25NO3S2 MolecularWeight: 427.5795

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CS)COCC4=CC=CC=C4

Isomeric SMILES

C1C(C(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CS)COCC4=CC=CC=C4

InChI

InChI=1S/C23H25NO3S2/c25-29(26,23-11-10-19-8-4-5-9-20(19)12-23)24-13-21(22(14-24)17-28)16-27-15-18-6-2-1-3-7-18/h1-12,21-22,28H,13-17H2