1-naphthalen-2-ylsulfonyl-5-[(pyridin-3-ylmethylamino)methyl]pyrrolidine-3-thiol

Systemtic Name: 1-naphthalen-2-ylsulfonyl-5-[(pyridin-3-ylmethylamino)methyl]pyrrolidine-3-thiol Openeye Name: 1-(2-naphthylsulfonyl)-5-[(3-pyridylmethylamino)methyl]pyrrolidine-3-thiol CAS Name: 1-(2-naphthalenylsulfonyl)-5-[(3-pyridinylmethylamino)methyl]-3-pyrrolidinethiol IUPAC Name: 1-naphthalen-2-ylsulfonyl-5-[(pyridin-3-ylmethylamino)methyl]pyrrolidine-3-thiol Traditional Name: 1-(2-naphthylsulfonyl)-5-[(3-pyridylmethylamino)methyl]pyrrolidine-3-thiol Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CNCC2=CN=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1CNCC2=CN=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C21H23N3O2S2/c25-28(26,21-8-7-17-5-1-2-6-18(17)10-21)24-15-20(27)11-19(24)14-23-13-16-4-3-9-22-12-16/h1-10,12,19-20,23,27H,11,13-15H2