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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-27-17-5-3-15(11-16(17)22(23)24)30(25,26)21-8-6-20(7-9-21)12-14-2-4-18-19(10-14)29-13-28-18/h2-5,10-11H,6-9,12-13H2,1H3