7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-(4-piperonylpiperazino)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC(=O)C1

InChI

InChI=1S/C22H25N3O5S/c26-22-3-1-2-17-13-18(5-6-19(17)23-22)31(27,28)25-10-8-24(9-11-25)14-16-4-7-20-21(12-16)30-15-29-20/h4-7,12-13H,1-3,8-11,14-15H2,(H,23,26)