6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide hydrochloride

Systemtic Name: 6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide hydrochloride Openeye Name: 6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid hydrochloride CAS Name: 6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide hydrochloride IUPAC Name: 6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide hydrochloride Traditional Name: 6-(aminomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid hydrochloride Formula: C18H26ClN3O5S2 MolecularWeight: 463.99914

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CN.Cl

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CN.Cl

InChI

InChI=1S/C18H25N3O5S2.ClH/c1-4-5-10-26-13-6-8-15(9-7-13)28(24,25)21-12-14(11-19)27-18(2,3)16(21)17(22)20-23;/h6-9,14,16,23H,10-12,19H2,1-3H3,(H,20,22);1H