1-ethyl-4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazine

Systemtic Name: 1-ethyl-4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazine Openeye Name: 1-ethyl-4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazine CAS Name: 1-ethyl-4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]piperazine IUPAC Name: 1-ethyl-4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazine Traditional Name: 1-ethyl-4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazine Formula: C18H28N4O4S MolecularWeight: 396.50432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-3-19-9-11-20(12-10-19)17-7-6-16(13-18(17)22(23)24)27(25,26)21-8-4-5-15(2)14-21/h6-7,13,15H,3-5,8-12,14H2,1-2H3