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

Systemtic Name: N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)cycloheptanamine Openeye Name: N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]cycloheptanamine CAS Name: N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]cycloheptanamine IUPAC Name: N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)cycloheptanamine Traditional Name: cycloheptyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S/c22-21(23)18-14-16(26(24,25)20-12-6-3-7-13-20)10-11-17(18)19-15-8-4-1-2-5-9-15/h10-11,14-15,19H,1-9,12-13H2