3-[4-carbamimidoyl-2-[(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)methoxy]phenyl]propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[[1-(2-naphthylsulfonyl)pyrrolidin-2-yl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[[1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)methoxy]phenyl]propanoic acid Traditional Name: 3-[4-amidino-2-[[1-(2-naphthylsulfonyl)pyrrolidin-2-yl]methoxy]phenyl]propionic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)COC4=C(C=CC(=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)COC4=C(C=CC(=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C25H27N3O5S/c26-25(27)20-8-7-18(10-12-24(29)30)23(15-20)33-16-21-6-3-13-28(21)34(31,32)22-11-9-17-4-1-2-5-19(17)14-22/h1-2,4-5,7-9,11,14-15,21H,3,6,10,12-13,16H2,(H3,26,27)(H,29,30)