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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(1-methylpiperidin-4-yl)-N-oxidanyl-5-phenyl-benzamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(1-methyl-4-piperidyl)-5-phenyl-benzenecarbohydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(1-methyl-4-piperidinyl)-5-phenylbenzamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(1-methylpiperidin-4-yl)-5-phenylbenzamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(1-methyl-4-piperidyl)-5-phenyl-benzenecarbohydroxamic acid Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C3CCN(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=C2C3CCN(CC3)C)C4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C30H33N3O5S/c1-4-5-19-38-25-11-13-26(14-12-25)39(36,37)33(3)29-27(23-15-17-32(2)18-16-23)20-24(21-28(29)30(34)31-35)22-9-7-6-8-10-22/h6-14,20-21,23,35H,15-19H2,1-3H3,(H,31,34)