N-[(2R)-3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1R)-2-methyl-1-[4-(2-thienylmethyl)piperazine-1-carbonyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]butan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1R)-2-methyl-1-[4-(2-thenyl)piperazine-1-carbonyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)[C@H](C(=O)N1CCN(CC1)CC2=CC=CS2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H29N3O5S2/c1-16(2)21(22(26)25-9-7-24(8-10-25)15-17-4-3-13-31-17)23-32(27,28)18-5-6-19-20(14-18)30-12-11-29-19/h3-6,13-14,16,21,23H,7-12,15H2,1-2H3/t21-/m1/s1