N-(1-cyanocycloheptyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]acetamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5S/c21-16-20(8-3-1-2-4-9-20)22-19(26)15-23-10-12-24(13-11-23)31(29,30)18-7-5-6-17(14-18)25(27)28/h5-7,14H,1-4,8-13,15H2,(H,22,26)