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

Systemtic Name: 1-(4-but-2-ynoxyphenyl)-2-sulfonyl-1,4-diazepane-5-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)-2-sulfonyl-1,4-diazepane-5-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)-2-sulfonyl-1,4-diazepane-5-carboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)-2-sulfonyl-1,4-diazepane-5-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)-2-sulfonyl-1,4-diazepane-5-carboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)N2CCC(NCC2=S(=O)=O)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)N2CCC(NCC2=S(=O)=O)C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-2-3-10-23-13-6-4-12(5-7-13)18-9-8-14(16(19)20)17-11-15(18)24(21)22/h4-7,14,17H,8-11H2,1H3,(H,19,20)