4-[[4-[4-(aminomethyl)piperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[4-(aminomethyl)piperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[4-(aminomethyl)-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[4-(aminomethyl)-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[4-(aminomethyl)piperidin-1-yl]-5-nitropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[4-(aminomethyl)piperidino]-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C16H21N7O4S MolecularWeight: 407.44744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CCC1CN)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H21N7O4S/c17-9-11-5-7-22(8-6-11)15-14(23(24)25)10-19-16(21-15)20-12-1-3-13(4-2-12)28(18,26)27/h1-4,10-11H,5-9,17H2,(H2,18,26,27)(H,19,20,21)