1-(1H-indol-2-ylsulfonyl)-2-[(Z)-N'-methoxycarbonylcarbamimidoyl]piperazine-2-carboxylic acid

Systemtic Name: 1-(1H-indol-2-ylsulfonyl)-2-[(Z)-N'-methoxycarbonylcarbamimidoyl]piperazine-2-carboxylic acid Openeye Name: 1-(1H-indol-2-ylsulfonyl)-2-[(Z)-N'-methoxycarbonylcarbamimidoyl]piperazine-2-carboxylic acid CAS Name: 2-[(Z)-amino(methoxycarbonylimino)methyl]-1-(1H-indol-2-ylsulfonyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(1H-indol-2-ylsulfonyl)-2-[(Z)-N'-methoxycarbonylcarbamimidoyl]piperazine-2-carboxylic acid Traditional Name: 2-[(Z)-N'-carbomethoxyamidino]-1-(1H-indol-2-ylsulfonyl)piperazine-2-carboxylic acid Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N=C(C1(CNCCN1S(=O)(=O)C2=CC3=CC=CC=C3N2)C(=O)O)N

Isomeric SMILES

COC(=O)/N=C(/C1(CNCCN1S(=O)(=O)C2=CC3=CC=CC=C3N2)C(=O)O)\N

InChI

InChI=1S/C16H19N5O6S/c1-27-15(24)20-13(17)16(14(22)23)9-18-6-7-21(16)28(25,26)12-8-10-4-2-3-5-11(10)19-12/h2-5,8,18-19H,6-7,9H2,1H3,(H,22,23)(H2,17,20,24)