1-(5-chloranyl-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-15-3-4-16(21)13-18(15)22-7-9-23(10-8-22)28(24,25)17-5-6-19-20(14-17)27-12-2-11-26-19/h3-6,13-14H,2,7-12H2,1H3