[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanone Formula: C20H28ClN3O5S MolecularWeight: 457.97142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H28ClN3O5S/c21-17-14-16(15-18-19(17)29-13-5-12-28-18)20(25)22-8-10-24(11-9-22)30(26,27)23-6-3-1-2-4-7-23/h14-15H,1-13H2