4-(4-but-2-ynoxyphenyl)sulfonyl-N-methyl-N-oxidanyl-1,4-diazepane-5-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-methyl-N-oxidanyl-1,4-diazepane-5-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-N-methyl-1,4-diazepane-5-carboxamide CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-N-methyl-1,4-diazepane-5-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-N-methyl-1,4-diazepane-5-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-N-methyl-1,4-diazepane-5-carboxamide Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-3-4-13-25-14-5-7-15(8-6-14)26(23,24)20-12-11-18-10-9-16(20)17(21)19(2)22/h5-8,16,18,22H,9-13H2,1-2H3