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

Systemtic Name: 1-[(1-butyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(1-butyl-5-tetrazolyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(1-butyltetrazol-5-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C16H23N7O4S MolecularWeight: 409.46332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O4S/c1-2-3-8-22-16(17-18-19-22)13-20-9-11-21(12-10-20)28(26,27)15-7-5-4-6-14(15)23(24)25/h4-7H,2-3,8-13H2,1H3