3-(4-but-2-ynoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)but-2-ynylamino]-N-oxidanyl-2-sulfonyl-propanamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)but-2-ynylamino]-N-oxidanyl-2-sulfonyl-propanamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynylamino]-2-sulfonyl-propanamide CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-N-[4-(4-methyl-1-piperazinyl)but-2-ynylamino]-2-sulfonylpropanamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynylamino]-2-sulfonylpropanamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-N-[4-(4-methylpiperazino)but-2-ynylamino]-2-sulfonyl-propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)CC(=S(=O)=O)C(=O)N(NCC#CCN2CCN(CC2)C)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)CC(=S(=O)=O)C(=O)N(NCC#CCN2CCN(CC2)C)O

InChI

InChI=1S/C22H28N4O5S/c1-3-4-17-31-20-9-7-19(8-10-20)18-21(32(29)30)22(27)26(28)23-11-5-6-12-25-15-13-24(2)14-16-25/h7-10,23,28H,11-18H2,1-2H3