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

Systemtic Name: 1H-indol-2-ylsulfonyl 2-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperazin-2-yl]ethanoate Openeye Name: 1H-indol-2-ylsulfonyl 2-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-amino(methoxycarbonylimino)methyl]-2-piperazinyl]acetic acid 1H-indol-2-ylsulfonyl ester IUPAC Name: 1H-indol-2-ylsulfonyl 2-[1-[(E)-N'-methoxycarbonylcarbamimidoyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(E)-N'-carbomethoxyamidino]piperazin-2-yl]acetic acid 1H-indol-2-ylsulfonyl ester Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N=C(N)N1CCNCC1CC(=O)OS(=O)(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)/N=C(\N)/N1CCNCC1CC(=O)OS(=O)(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C17H21N5O6S/c1-27-17(24)21-16(18)22-7-6-19-10-12(22)9-15(23)28-29(25,26)14-8-11-4-2-3-5-13(11)20-14/h2-5,8,12,19-20H,6-7,9-10H2,1H3,(H2,18,21,24)