1-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(1-butyl-5-tetrazolyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Formula: C17H25N7O5S MolecularWeight: 439.4893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=N1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N7O5S/c1-3-4-7-23-17(18-19-20-23)13-21-8-10-22(11-9-21)30(27,28)14-5-6-16(29-2)15(12-14)24(25)26/h5-6,12H,3-4,7-11,13H2,1-2H3