N-[(2R)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1R)-1-benzyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxo-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1R)-1-benzyl-2-[4-(cyclopropanecarbonyl)piperazino]-2-keto-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)[C@@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H29N3O6S/c29-24(19-6-7-19)27-10-12-28(13-11-27)25(30)21(16-18-4-2-1-3-5-18)26-35(31,32)20-8-9-22-23(17-20)34-15-14-33-22/h1-5,8-9,17,19,21,26H,6-7,10-16H2/t21-/m1/s1