(2S,4R)-N-hexyl-N-methyl-1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-hexyl-N-methyl-1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-hexyl-N-methyl-1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-hexyl-4-mercapto-N-methyl-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-hexyl-N-methyl-1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-hexyl-4-mercapto-N-methyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

CCCCCCN(C)C(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C22H30N2O3S2/c1-3-4-5-8-13-23(2)22(25)21-15-19(28)16-24(21)29(26,27)20-12-11-17-9-6-7-10-18(17)14-20/h6-7,9-12,14,19,21,28H,3-5,8,13,15-16H2,1-2H3/t19-,21+/m1/s1