1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(3-phenylpropyl)piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(3-phenylpropyl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(3-phenylpropyl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(3-phenylpropyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(3-phenylpropyl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(3-phenylpropyl)piperazine Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCCC4=CC=CC=C4)OC1

InChI

InChI=1S/C22H28N2O4S/c25-29(26,20-9-10-21-22(18-20)28-17-5-16-27-21)24-14-12-23(13-15-24)11-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-10,18H,4-5,8,11-17H2