[4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-piperonylpiperazino)methanone Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H31N3O5S/c29-25(21-6-8-22(9-7-21)34(30,31)28-11-3-1-2-4-12-28)27-15-13-26(14-16-27)18-20-5-10-23-24(17-20)33-19-32-23/h5-10,17H,1-4,11-16,18-19H2