1-naphthalen-2-ylsulfonyl-5-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-3-thiol

Systemtic Name: 1-naphthalen-2-ylsulfonyl-5-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-3-thiol Openeye Name: 1-(2-naphthylsulfonyl)-5-[(4-pyridylmethylamino)methyl]pyrrolidine-3-thiol CAS Name: 1-(2-naphthalenylsulfonyl)-5-[(pyridin-4-ylmethylamino)methyl]-3-pyrrolidinethiol IUPAC Name: 1-naphthalen-2-ylsulfonyl-5-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-3-thiol Traditional Name: 1-(2-naphthylsulfonyl)-5-[(4-pyridylmethylamino)methyl]pyrrolidine-3-thiol Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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