[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]carbamic acid

Systemtic Name: [(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]carbamic acid Openeye Name: [[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]carbamic acid CAS Name: [[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]carbamic acid IUPAC Name: [(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]carbamic acid Traditional Name: [[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]carbamic acid Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NNC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

Isomeric SMILES

C1C(CN(C1C(=O)NNC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S

InChI

InChI=1S/C16H17N3O5S2/c20-15(17-18-16(21)22)14-8-12(25)9-19(14)26(23,24)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,14,18,25H,8-9H2,(H,17,20)(H,21,22)