naphthalen-2-ylsulfonyl 2-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperazin-2-yl]ethanoate

Systemtic Name: naphthalen-2-ylsulfonyl 2-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperazin-2-yl]ethanoate Openeye Name: 2-naphthylsulfonyl 2-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-amino(methoxycarbonylimino)methyl]-2-piperazinyl]acetic acid 2-naphthalenylsulfonyl ester IUPAC Name: naphthalen-2-ylsulfonyl 2-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(E)-N'-carbomethoxyamidino]piperazin-2-yl]acetic acid 2-naphthylsulfonyl ester Formula: C19H22N4O6S MolecularWeight: 434.46618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N=C(N)N1CCNCC1CC(=O)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)/N=C(\N)/N1CCNCC1CC(=O)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H22N4O6S/c1-28-19(25)22-18(20)23-9-8-21-12-15(23)11-17(24)29-30(26,27)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10,15,21H,8-9,11-12H2,1H3,(H2,20,22,25)