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

Systemtic Name: 2-[4-carbamimidoyl-2-[(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)methoxy]phenyl]propanoic acid Openeye Name: 2-[4-carbamimidoyl-2-[[1-(2-naphthylsulfonyl)pyrrolidin-2-yl]methoxy]phenyl]propanoic acid CAS Name: 2-[4-carbamimidoyl-2-[[1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-[4-carbamimidoyl-2-[(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)methoxy]phenyl]propanoic acid Traditional Name: 2-[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:

CC(C1=C(C=C(C=C1)C(=N)N)OCC2CCCN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=N)N)OCC2CCCN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C25H27N3O5S/c1-16(25(29)30)22-11-9-19(24(26)27)14-23(22)33-15-20-7-4-12-28(20)34(31,32)21-10-8-17-5-2-3-6-18(17)13-21/h2-3,5-6,8-11,13-14,16,20H,4,7,12,15H2,1H3,(H3,26,27)(H,29,30)