4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate Formula: C16H18NO5S2- MolecularWeight: 368.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2C(=O)[O-]

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2C(=O)[O-]

InChI

InChI=1S/C16H19NO5S2/c1-2-3-10-22-13-5-7-14(8-6-13)24(20,21)17-9-4-11-23-12-15(17)16(18)19/h5-8,15H,4,9-12H2,1H3,(H,18,19)/p-1