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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C21H26N2O4S/c1-16-5-3-6-19(17(16)2)22-9-11-23(12-10-22)28(24,25)18-7-8-20-21(15-18)27-14-4-13-26-20/h3,5-8,15H,4,9-14H2,1-2H3