1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazine Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N2O4S/c1-17(18-6-3-2-4-7-18)22-10-12-23(13-11-22)28(24,25)19-8-9-20-21(16-19)27-15-5-14-26-20/h2-4,6-9,16-17H,5,10-15H2,1H3/t17-/m1/s1