[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]methanone Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-pyrrolidinosulfonylbenzoyl)piperazino]methanone Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)[C@@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C24H27N3O6S/c28-23(18-7-9-19(10-8-18)34(30,31)27-11-3-4-12-27)25-13-15-26(16-14-25)24(29)22-17-32-20-5-1-2-6-21(20)33-22/h1-2,5-10,22H,3-4,11-17H2/t22-/m0/s1