1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]ethanone Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H29N3O5S/c1-16-13-20(17(2)26(16)18-3-4-18)21(27)15-24-7-9-25(10-8-24)32(28,29)19-5-6-22-23(14-19)31-12-11-30-22/h5-6,13-14,18H,3-4,7-12,15H2,1-2H3