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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloranyl-4-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-4-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-14-2-4-16(11-17(14)20)27(23,24)22-8-6-21(7-9-22)12-15-3-5-18-19(10-15)26-13-25-18/h2-5,10-11H,6-9,12-13H2,1H3