2-[2-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)ethoxycarbonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[2-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)ethoxycarbonyl-phenyl-amino]ethanoic acid Openeye Name: 2-[N-[2-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidin-2-yl]ethoxycarbonyl]anilino]acetic acid CAS Name: 2-(N-[2-[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]ethoxy-oxomethyl]anilino)acetic acid IUPAC Name: 2-[N-[2-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidin-2-yl)ethoxycarbonyl]anilino]acetic acid Traditional Name: 2-[N-[2-[4-mercapto-1-(2-naphthylsulfonyl)pyrrolidin-2-yl]ethoxycarbonyl]anilino]acetic acid Formula: C25H26N2O6S2 MolecularWeight: 514.61374

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCOC(=O)N(CC(=O)O)C2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1CCOC(=O)N(CC(=O)O)C2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C25H26N2O6S2/c28-24(29)17-26(20-8-2-1-3-9-20)25(30)33-13-12-21-15-22(34)16-27(21)35(31,32)23-11-10-18-6-4-5-7-19(18)14-23/h1-11,14,21-22,34H,12-13,15-17H2,(H,28,29)