7-[3-[bis(azanyl)methylideneamino]oxypropoxy]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 7-[3-[bis(azanyl)methylideneamino]oxypropoxy]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 7-(3-guanidinooxypropoxy)-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 7-[3-(diaminomethylideneamino)oxypropoxy]-2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 7-[3-(diaminomethylideneamino)oxypropoxy]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-(3-guanidinooxypropoxy)-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)OCCCON=C(N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)OCCCON=C(N)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C24H26N4O6S/c25-24(26)27-34-11-3-10-33-20-8-6-18-14-22(23(29)30)28(15-19(18)12-20)35(31,32)21-9-7-16-4-1-2-5-17(16)13-21/h1-2,4-9,12-13,22H,3,10-11,14-15H2,(H,29,30)(H4,25,26,27)