methyl 3-carbamimidoyl-3-naphthalen-2-yl-2-sulfonyl-piperazine-1-carboxylate

Systemtic Name: methyl 3-carbamimidoyl-3-naphthalen-2-yl-2-sulfonyl-piperazine-1-carboxylate Openeye Name: methyl 3-carbamimidoyl-3-(2-naphthyl)-2-sulfonyl-piperazine-1-carboxylate CAS Name: 3-carbamimidoyl-3-(2-naphthalenyl)-2-sulfonyl-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-3-naphthalen-2-yl-2-sulfonylpiperazine-1-carboxylate Traditional Name: 3-amidino-3-(2-naphthyl)-2-sulfonyl-piperazine-1-carboxylic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCNC(C1=S(=O)=O)(C2=CC3=CC=CC=C3C=C2)C(=N)N

Isomeric SMILES

COC(=O)N1CCNC(C1=S(=O)=O)(C2=CC3=CC=CC=C3C=C2)C(=N)N

InChI

InChI=1S/C17H18N4O4S/c1-25-16(22)21-9-8-20-17(14(18)19,15(21)26(23)24)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,20H,8-9H2,1H3,(H3,18,19)