1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloranyl-2-ethoxy-4-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloranyl-2-ethoxy-4-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25ClN2O5S/c1-3-27-20-10-15(2)17(22)12-21(20)30(25,26)24-8-6-23(7-9-24)13-16-4-5-18-19(11-16)29-14-28-18/h4-5,10-12H,3,6-9,13-14H2,1-2H3