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

Systemtic Name: 5-[(cyclohexylmethylamino)methyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[(cyclohexylmethylamino)methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol CAS Name: 5-[(cyclohexylmethylamino)methyl]-1-(2-naphthalenylsulfonyl)-3-pyrrolidinethiol IUPAC Name: 5-[(cyclohexylmethylamino)methyl]-1-naphthalen-2-ylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[(cyclohexylmethylamino)methyl]-1-(2-naphthylsulfonyl)pyrrolidine-3-thiol Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1CCC(CC1)CNCC2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H30N2O2S2/c25-28(26,22-11-10-18-8-4-5-9-19(18)12-22)24-16-21(27)13-20(24)15-23-14-17-6-2-1-3-7-17/h4-5,8-12,17,20-21,23,27H,1-3,6-7,13-16H2