2-dimethylaminoethyl 6-azido-5-(4-azidophenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 2-dimethylaminoethyl 6-azido-5-(4-azidophenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 2-dimethylaminoethyl 6-azido-5-(4-azidophenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylate CAS Name: 6-azido-5-(4-azidophenyl)-4-sulfonyl-1-cyclohexa-1,5-dienecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 6-azido-5-(4-azidophenyl)-4-sulfonylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 6-azido-5-(4-azidophenyl)-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid 2-dimethylaminoethyl ester Formula: C17H17N7O4S MolecularWeight: 415.42638

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CCC(=S(=O)=O)C(=C1N=[N+]=[N-])C2=CC=C(C=C2)N=[N+]=[N-]

Isomeric SMILES

CN(C)CCOC(=O)C1=CCC(=S(=O)=O)C(=C1N=[N+]=[N-])C2=CC=C(C=C2)N=[N+]=[N-]

InChI

InChI=1S/C17H17N7O4S/c1-24(2)9-10-28-17(25)13-7-8-14(29(26)27)15(16(13)21-23-19)11-3-5-12(6-4-11)20-22-18/h3-7H,8-10H2,1-2H3