but-2-ynoxybenzene; 3-methyl-N-(methylamino)-N-oxidanyl-3-(2-pyrrolidin-1-ylethylsulfanyl)-4-sulfonyl-butanamide

Systemtic Name: but-2-ynoxybenzene; 3-methyl-N-(methylamino)-N-oxidanyl-3-(2-pyrrolidin-1-ylethylsulfanyl)-4-sulfonyl-butanamide Openeye Name: but-2-ynoxybenzene; N-hydroxy-3-methyl-N-(methylamino)-3-(2-pyrrolidin-1-ylethylsulfanyl)-4-sulfonyl-butanamide CAS Name: but-2-ynoxybenzene; N-hydroxy-3-methyl-N-(methylamino)-3-[2-(1-pyrrolidinyl)ethylthio]-4-sulfonylbutanamide IUPAC Name: but-2-ynoxybenzene; N-hydroxy-3-methyl-N-(methylamino)-3-(2-pyrrolidin-1-ylethylsulfanyl)-4-sulfonylbutanamide Traditional Name: but-2-ynoxybenzene; N-hydroxy-3-methyl-N-(methylamino)-3-(2-pyrrolidinoethylthio)-4-sulfonyl-butyramide Formula: C22H33N3O5S2 MolecularWeight: 483.64452

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(CC(=O)N(NC)O)(C=S(=O)=O)SCCN1CCCC1

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(CC(=O)N(NC)O)(C=S(=O)=O)SCCN1CCCC1

InChI

InChI=1S/C12H23N3O4S2.C10H10O/c1-12(10-21(18)19,9-11(16)15(17)13-2)20-8-7-14-5-3-4-6-14;1-2-3-9-11-10-7-5-4-6-8-10/h10,13,17H,3-9H2,1-2H3;4-8H,9H2,1H3