N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)cycloheptanamine

Systemtic Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)cycloheptanamine Openeye Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)cycloheptanamine CAS Name: N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]cycloheptanamine IUPAC Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)cycloheptanamine Traditional Name: cycloheptyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C17H25N3O4S MolecularWeight: 367.4631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c21-20(22)17-13-15(25(23,24)19-11-5-6-12-19)9-10-16(17)18-14-7-3-1-2-4-8-14/h9-10,13-14,18H,1-8,11-12H2