N-(cyclopentylmethyl)-4-methoxy-N-[2-oxidanyl-3-[(6S)-2-oxidanylidene-6-(phenylmethyl)-3-prop-2-enyl-piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: N-(cyclopentylmethyl)-4-methoxy-N-[2-oxidanyl-3-[(6S)-2-oxidanylidene-6-(phenylmethyl)-3-prop-2-enyl-piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-[(6S)-3-allyl-6-benzyl-2-oxo-piperazin-1-yl]-2-hydroxy-propyl]-N-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide CAS Name: N-(cyclopentylmethyl)-N-[2-hydroxy-3-[(6S)-2-oxo-6-(phenylmethyl)-3-prop-2-enyl-1-piperazinyl]propyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[3-[(6S)-6-benzyl-2-oxo-3-prop-2-enylpiperazin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide Traditional Name: N-[3-[(6S)-3-allyl-6-benzyl-2-keto-piperazino]-2-hydroxy-propyl]-N-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide Formula: C30H41N3O5S MolecularWeight: 555.72864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3C(CNC(C3=O)CC=C)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CNC(C3=O)CC=C)CC4=CC=CC=C4)O

InChI

InChI=1S/C30H41N3O5S/c1-3-9-29-30(35)33(25(19-31-29)18-23-10-5-4-6-11-23)22-26(34)21-32(20-24-12-7-8-13-24)39(36,37)28-16-14-27(38-2)15-17-28/h3-6,10-11,14-17,24-26,29,31,34H,1,7-9,12-13,18-22H2,2H3/t25-,26?,29?/m0/s1