N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H27N3O5S/c1-24-9-11-25(12-10-24)31(27,28)19-4-2-3-18(16-19)22(26)23-8-7-17-5-6-20-21(15-17)30-14-13-29-20/h2-6,15-16H,7-14H2,1H3,(H,23,26)