N-azanyl-2-(4-but-2-ynoxyphenyl)-3-methyl-2-(2-morpholin-4-ylethyl)-N-oxidanyl-4-sulfonyl-butanamide

Systemtic Name: N-azanyl-2-(4-but-2-ynoxyphenyl)-3-methyl-2-(2-morpholin-4-ylethyl)-N-oxidanyl-4-sulfonyl-butanamide Openeye Name: N-amino-2-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-2-(2-morpholinoethyl)-4-sulfonyl-butanamide CAS Name: N-amino-2-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-2-[2-(4-morpholinyl)ethyl]-4-sulfonylbutanamide IUPAC Name: N-amino-2-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-2-(2-morpholin-4-ylethyl)-4-sulfonylbutanamide Traditional Name: N-amino-2-(4-but-2-ynoxyphenyl)-N-hydroxy-3-methyl-2-(2-morpholinoethyl)-4-sulfonyl-butyramide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C(CCN2CCOCC2)(C(C)C=S(=O)=O)C(=O)N(N)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C(CCN2CCOCC2)(C(C)C=S(=O)=O)C(=O)N(N)O

InChI

InChI=1S/C21H29N3O6S/c1-3-4-13-30-19-7-5-18(6-8-19)21(20(25)24(22)26,17(2)16-31(27)28)9-10-23-11-14-29-15-12-23/h5-8,16-17,26H,9-15,22H2,1-2H3