tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-diazepane-5-carboxylic acid tert-butyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCNCCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O5S/c1-5-6-15-26-16-7-9-17(10-8-16)28(24,25)22-14-13-21-12-11-18(22)19(23)27-20(2,3)4/h7-10,18,21H,11-15H2,1-4H3