N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]cycloheptanamine

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]cycloheptanamine Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]cycloheptanamine CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]cycloheptanamine IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]cycloheptanamine Traditional Name: cycloheptyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-20-10-12-21(13-11-20)27(25,26)16-8-9-17(18(14-16)22(23)24)19-15-6-4-2-3-5-7-15/h8-9,14-15,19H,2-7,10-13H2,1H3