4-carbamimidoyl-1-methoxycarbonyl-2-naphthalen-2-yl-3-sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-carbamimidoyl-1-methoxycarbonyl-2-naphthalen-2-yl-3-sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-carbamimidoyl-1-methoxycarbonyl-2-(2-naphthyl)-3-sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-carbamimidoyl-1-methoxycarbonyl-2-(2-naphthalenyl)-3-sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-carbamimidoyl-1-methoxycarbonyl-2-naphthalen-2-yl-3-sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-amidino-1-carbomethoxy-2-(2-naphthyl)-3-sulfonyl-piperazine-2-carboxylic acid Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(=S(=O)=O)C1(C2=CC3=CC=CC=C3C=C2)C(=O)O)C(=N)N

Isomeric SMILES

COC(=O)N1CCN(C(=S(=O)=O)C1(C2=CC3=CC=CC=C3C=C2)C(=O)O)C(=N)N

InChI

InChI=1S/C18H18N4O6S/c1-28-17(25)22-9-8-21(16(19)20)14(29(26)27)18(22,15(23)24)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10H,8-9H2,1H3,(H3,19,20)(H,23,24)