1-(1,3-benzodioxol-5-ylmethyl)-4-(3-tert-butyl-4-methoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-tert-butyl-4-methoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-tert-butyl-4-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-tert-butyl-4-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-tert-butyl-4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-(3-tert-butyl-4-methoxy-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H30N2O5S/c1-23(2,3)19-14-18(6-8-20(19)28-4)31(26,27)25-11-9-24(10-12-25)15-17-5-7-21-22(13-17)30-16-29-21/h5-8,13-14H,9-12,15-16H2,1-4H3