2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(4-methylpiperazin-1-yl)methyl]-N-oxidanyl-5-phenyl-benzamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(4-methylpiperazin-1-yl)methyl]-N-oxidanyl-5-phenyl-benzamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-benzenecarbohydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-[(4-methyl-1-piperazinyl)methyl]-5-phenylbenzamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]-5-phenylbenzamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(4-methylpiperazino)methyl]-5-phenyl-benzenecarbohydroxamic acid Formula: C30H34N4O5S MolecularWeight: 562.67976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2CN3CCN(CC3)C)C4=CC=CC=C4)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2CN3CCN(CC3)C)C4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C30H34N4O5S/c1-4-5-19-39-26-11-13-27(14-12-26)40(37,38)33(3)29-25(22-34-17-15-32(2)16-18-34)20-24(21-28(29)30(35)31-36)23-9-7-6-8-10-23/h6-14,20-21,36H,15-19,22H2,1-3H3,(H,31,35)