N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-tert-butylbenzenesulfonamide Traditional Name: 4-tert-butyl-N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]benzenesulfonamide Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CO)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CO)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H33N3O6S/c1-25(2,3)19-5-7-20(8-6-19)35(31,32)26-21(16-29)24(30)28-12-10-27(11-13-28)15-18-4-9-22-23(14-18)34-17-33-22/h4-9,14,21,26,29H,10-13,15-17H2,1-3H3/t21-/m0/s1