2-[[2-[5-(dibutylsulfamoylamino)-2-methyl-1-benzothiophen-3-yl]ethyl-methyl-amino]methyl]-5-nitro-pyrimidine

Systemtic Name: 2-[[2-[5-(dibutylsulfamoylamino)-2-methyl-1-benzothiophen-3-yl]ethyl-methyl-amino]methyl]-5-nitro-pyrimidine Openeye Name: 2-[[2-[5-(dibutylsulfamoylamino)-2-methyl-benzothiophen-3-yl]ethyl-methyl-amino]methyl]-5-nitro-pyrimidine CAS Name: 2-[[2-[5-(dibutylsulfamoylamino)-2-methyl-1-benzothiophen-3-yl]ethyl-methylamino]methyl]-5-nitropyrimidine IUPAC Name: 2-[[2-[5-(dibutylsulfamoylamino)-2-methyl-1-benzothiophen-3-yl]ethyl-methylamino]methyl]-5-nitropyrimidine Traditional Name: 2-[[2-[5-(dibutylsulfamoylamino)-2-methyl-benzothiophen-3-yl]ethyl-methyl-amino]methyl]-5-nitro-pyrimidine Formula: C25H36N6O4S2 MolecularWeight: 548.72114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)NC1=CC2=C(C=C1)SC(=C2CCN(C)CC3=NC=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)NC1=CC2=C(C=C1)SC(=C2CCN(C)CC3=NC=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C25H36N6O4S2/c1-5-7-12-30(13-8-6-2)37(34,35)28-20-9-10-24-23(15-20)22(19(3)36-24)11-14-29(4)18-25-26-16-21(17-27-25)31(32)33/h9-10,15-17,28H,5-8,11-14,18H2,1-4H3