4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate Formula: C17H18N2O7S-2 MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCC2C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H20N2O7S/c1-2-3-12-26-13-4-6-14(7-5-13)27(24,25)19-11-10-18(17(22)23)9-8-15(19)16(20)21/h4-7,15H,8-12H2,1H3,(H,20,21)(H,22,23)/p-2