[2-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]amino]-2-oxidanylidene-ethyl]carbamic acid

Systemtic Name: [2-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]amino]-2-oxidanylidene-ethyl]carbamic acid Openeye Name: [2-[[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]amino]-2-oxo-ethyl]carbamic acid CAS Name: [2-[[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]amino]-2-oxoethyl]carbamic acid IUPAC Name: [2-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]amino]-2-oxoethyl]carbamic acid Traditional Name: [2-keto-2-[[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]amino]ethyl]carbamic acid Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(NC(=O)CNC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

C1C(CNC1C(NC(=O)CNC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C18H21N3O5S2/c22-16(10-20-18(23)24)21-17(15-8-13(27)9-19-15)28(25,26)14-6-5-11-3-1-2-4-12(11)7-14/h1-7,13,15,17,19-20,27H,8-10H2,(H,21,22)(H,23,24)