benzenesulfonyl chloride; 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-oxidanyl-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: benzenesulfonyl chloride; 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-oxidanyl-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carbohydroxamic acid; benzenesulfonyl chloride CAS Name: 1-(benzenesulfonyl)-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxy-4-piperidinecarboxamide; benzenesulfonyl chloride IUPAC Name: 1-(benzenesulfonyl)-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide; benzenesulfonyl chloride Traditional Name: benzenesulfonyl chloride; 1-besyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carbohydroxamic acid Formula: C29H31ClN2O9S3 MolecularWeight: 683.21244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)NO.C1=CC=C(C=C1)S(=O)(=O)Cl

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)NO.C1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C23H26N2O7S2.C6H5ClO2S/c1-2-3-17-32-19-9-11-20(12-10-19)33(28,29)18-23(22(26)24-27)13-15-25(16-14-23)34(30,31)21-7-5-4-6-8-21;7-10(8,9)6-4-2-1-3-5-6/h4-12,27H,13-18H2,1H3,(H,24,26);1-5H