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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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