1-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]sulfonylazepane

Systemtic Name: 1-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]sulfonylazepane Openeye Name: 1-[4-[4-[(E)-cinnamyl]piperazin-1-yl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]sulfonylazepane IUPAC Name: 1-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]sulfonylazepane Traditional Name: 1-[4-[4-[(E)-cinnamyl]piperazino]-3-nitro-phenyl]sulfonylazepane Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O4S/c30-29(31)25-21-23(34(32,33)28-15-6-1-2-7-16-28)12-13-24(25)27-19-17-26(18-20-27)14-8-11-22-9-4-3-5-10-22/h3-5,8-13,21H,1-2,6-7,14-20H2/b11-8+